(3S)-3-pyrrol-1-ylpiperidine

C9H14N2 — CID 95378995

IUPAC(3S)-3-pyrrol-1-ylpiperidine
SMILESc1ccn([C@H]2CCCNC2)c1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2/t9-/m0/s1
InChIKeyMSVVJUQLGSKKPB-VIFPVBQESA-N
MW150.23 g/mol
LogP1.41
Rot. Bonds1

About (3S)-3-pyrrol-1-ylpiperidine

(3S)-3-pyrrol-1-ylpiperidine (PubChem CID 95378995) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is (3S)-3-pyrrol-1-ylpiperidine.

Molecular Properties

Compound Name(3S)-3-pyrrol-1-ylpiperidine
PubChem CID95378995
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name(3S)-3-pyrrol-1-ylpiperidine
SMILESc1ccn([C@H]2CCCNC2)c1
InChIInChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2/t9-/m0/s1
InChIKeyMSVVJUQLGSKKPB-VIFPVBQESA-N
XLogP1.41
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-pyrrol-1-ylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-pyrrol-1-ylpiperidine
CID 95378994
1-cyclobutylpyrrole
CID 62414622
7-piperidin-3-yl-7-azabicyclo[2.2.1]heptane
CID 130915029
(3S)-3-(triazol-1-yl)piperidine
CID 86332249
3-(3-methylazetidin-1-yl)piperidine
CID 79677319
4-fluoro-1-piperidin-3-ylpiperidine
CID 115017121
3-(2,5-dimethylpyrrolidin-1-yl)piperidine;hydrochloride
CID 131067525
1-[(3S)-piperidin-3-yl]-3,6-dihydro-2H-pyridine
CID 174829694
1-phenyl-4-[(3R)-piperidin-3-yl]piperazine
CID 51704980
3-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 54592668
1-piperidin-3-ylpiperidin-4-amine
CID 53414003
2-piperidin-3-yl-2-azaspiro[3.3]heptane
CID 79677674

Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrrol-1-ylpiperidine?
The IUPAC name of (3S)-3-pyrrol-1-ylpiperidine (CID 95378995) is (3S)-3-pyrrol-1-ylpiperidine.
What is the SMILES notation for (3S)-3-pyrrol-1-ylpiperidine?
The canonical SMILES for (3S)-3-pyrrol-1-ylpiperidine is c1ccn([C@H]2CCCNC2)c1.
What is the InChIKey of (3S)-3-pyrrol-1-ylpiperidine?
The InChIKey is MSVVJUQLGSKKPB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14N2/c1-2-7-11(6-1)9-4-3-5-10-8-9/h1-2,6-7,9-10H,3-5,8H2/t9-/m0/s1.
What are the key properties of (3S)-3-pyrrol-1-ylpiperidine?
(3S)-3-pyrrol-1-ylpiperidine has a molecular weight of 150.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrrol-1-ylpiperidine is sourced from PubChem (CID 95378995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).