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827016-10-4 | 1H-Indole-1-ethanol, 3-[[4-(2,6-dichlorophenyl)-1-piperidinyl]methyl]-
CAS No: 827016-10-4 Catalog No: AG0051S3 MDL No:
Product Description
Catalog Number:
AG0051S3
Chemical Name:
1H-Indole-1-ethanol, 3-[[4-(2,6-dichlorophenyl)-1-piperidinyl]methyl]-
CAS Number:
827016-10-4
Molecular Formula:
C22H24Cl2N2O
Molecular Weight:
403.3448
IUPAC Name:
2-[3-[[4-(2,6-dichlorophenyl)piperidin-1-yl]methyl]indol-1-yl]ethanol
InChI:
InChI=1S/C22H24Cl2N2O/c23-19-5-3-6-20(24)22(19)16-8-10-25(11-9-16)14-17-15-26(12-13-27)21-7-2-1-4-18(17)21/h1-7,15-16,27H,8-14H2
InChI Key:
CBQCVSZTRGVKBK-UHFFFAOYSA-N
SMILES:
OCCn1cc(c2c1cccc2)CN1CCC(CC1)c1c(Cl)cccc1Cl
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.127g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
403.347g/mol
Monoisotopic Mass:
402.127g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
28.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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