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87451-37-4 | Piperidine, 1-methyl-4-(1H-pyrrol-1-ylmethyl)-
CAS No: 87451-37-4 Catalog No: AG004FU6 MDL No:
Product Description
Catalog Number:
AG004FU6
Chemical Name:
Piperidine, 1-methyl-4-(1H-pyrrol-1-ylmethyl)-
CAS Number:
87451-37-4
Molecular Formula:
C11H18N2
Molecular Weight:
178.2740
IUPAC Name:
1-methyl-4-(pyrrol-1-ylmethyl)piperidine
InChI:
InChI=1S/C11H18N2/c1-12-8-4-11(5-9-12)10-13-6-2-3-7-13/h2-3,6-7,11H,4-5,8-10H2,1H3
InChI Key:
GDRDVRKJQWMJQG-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)Cn1cccc1
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.147g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.279g/mol
Monoisotopic Mass:
178.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
8.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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