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100131-91-7 | 4-Piperidinol, 1-methyl-4-(2-thienyl)-
CAS No: 100131-91-7 Catalog No: AG00011B MDL No:
Product Description
Catalog Number:
AG00011B
Chemical Name:
4-Piperidinol, 1-methyl-4-(2-thienyl)-
CAS Number:
100131-91-7
Molecular Formula:
C10H15NOS
Molecular Weight:
197.2972
IUPAC Name:
1-methyl-4-thiophen-2-ylpiperidin-4-ol
InChI:
InChI=1S/C10H15NOS/c1-11-6-4-10(12,5-7-11)9-3-2-8-13-9/h2-3,8,12H,4-7H2,1H3
InChI Key:
PJGGTDCBUKZKQZ-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)(O)c1cccs1
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.087g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.296g/mol
Monoisotopic Mass:
197.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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