(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine

C21H29FN4 — CID 156886845

IUPAC(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
SMILESCc1nccn1C(c1cccc(F)c1)(C1CCNCC1)C1CCC[C@@H]1N
InChIInChI=1S/C21H29FN4/c1-15-25-12-13-26(15)21(16-8-10-24-11-9-16,19-6-3-7-20(19)23)17-4-2-5-18(22)14-17/h2,4-5,12-14,16,19-20,24H,3,6-11,23H2,1H3/t19?,20-,21?/m0/s1
InChIKeyOYRPWCKTQZRRFP-KBWCOIMZSA-N
MW356.49 g/mol
LogP3.20
Rot. Bonds4

About (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine

(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine (PubChem CID 156886845) has the molecular formula C21H29FN4 and a molecular weight of 356.49 g/mol. Its IUPAC name is (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
PubChem CID156886845
Molecular FormulaC21H29FN4
Molecular Weight356.49 g/mol
Exact Mass356.24
IUPAC Name(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine
SMILESCc1nccn1C(c1cccc(F)c1)(C1CCNCC1)C1CCC[C@@H]1N
InChIInChI=1S/C21H29FN4/c1-15-25-12-13-26(15)21(16-8-10-24-11-9-16,19-6-3-7-20(19)23)17-4-2-5-18(22)14-17/h2,4-5,12-14,16,19-20,24H,3,6-11,23H2,1H3/t19?,20-,21?/m0/s1
InChIKeyOYRPWCKTQZRRFP-KBWCOIMZSA-N
XLogP3.20
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
The IUPAC name of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine (CID 156886845) is (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine.
What is the SMILES notation for (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
The canonical SMILES for (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine is Cc1nccn1C(c1cccc(F)c1)(C1CCNCC1)C1CCC[C@@H]1N.
What is the InChIKey of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
The InChIKey is OYRPWCKTQZRRFP-KBWCOIMZSA-N. The full InChI is InChI=1S/C21H29FN4/c1-15-25-12-13-26(15)21(16-8-10-24-11-9-16,19-6-3-7-20(19)23)17-4-2-5-18(22)14-17/h2,4-5,12-14,16,19-20,24H,3,6-11,23H2,1H3/t19?,20-,21?/m0/s1.
What are the key properties of (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine?
(1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine has a molecular weight of 356.49 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[(3-fluorophenyl)-(2-methylimidazol-1-yl)-piperidin-4-ylmethyl]cyclopentan-1-amine is sourced from PubChem (CID 156886845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).