2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol

C16H22N2O — CID 54553270

IUPAC2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol
SMILESOC1(NC2=NCCCC2)CCCC1c1ccccc1
InChIInChI=1S/C16H22N2O/c19-16(18-15-10-4-5-12-17-15)11-6-9-14(16)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2,(H,17,18)
InChIKeyZLJOYRPWCXGJKT-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.81
Rot. Bonds2

About 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol

2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol (PubChem CID 54553270) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol
PubChem CID54553270
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol
SMILESOC1(NC2=NCCCC2)CCCC1c1ccccc1
InChIInChI=1S/C16H22N2O/c19-16(18-15-10-4-5-12-17-15)11-6-9-14(16)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2,(H,17,18)
InChIKeyZLJOYRPWCXGJKT-UHFFFAOYSA-N
XLogP2.81
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol 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

N-[(1S)-2-phenylcyclopentyl]-1-azacyclotridecen-2-amine
CID 90221273
N-[(1R,2R)-2-phenylcyclopentyl]-2,3,4,5,6,7-hexahydroazocin-8-amine;hydrochloride
CID 70053431
N-[(1R,2S)-2-phenylcycloheptyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine;hydrochloride
CID 70051755
N-(2-phenylcyclopropyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 79508367
1-methyl-2-phenylcyclopentan-1-ol
CID 102035822
cyclopropyl-phenyl-(2,3,4,5-tetrahydropyridin-6-ylamino)methanol
CID 54048321
1-(3,4-dihydro-2H-pyrrol-5-yl)-2-phenylhydrazine
CID 11231519
2-[2-(2,3,4,5-tetrahydropyridin-6-ylamino)phenyl]acetic acid
CID 115038877
2-phenyl-2-(2,3,4,5-tetrahydropyridin-6-ylamino)ethanol
CID 79504547
2-[(1S,2S)-1-hydroxy-2-phenylcyclohexyl]acetic acid
CID 40501081
methyl 1-(cyclopropylmethylamino)-2-phenylcyclohexane-1-carboxylate
CID 105401936
ethyl 2-phenyl-1-propylcyclohexane-1-carboxylate
CID 70449516

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol?
The IUPAC name of 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol (CID 54553270) is 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol.
What is the SMILES notation for 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol?
The canonical SMILES for 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol is OC1(NC2=NCCCC2)CCCC1c1ccccc1.
What is the InChIKey of 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol?
The InChIKey is ZLJOYRPWCXGJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(18-15-10-4-5-12-17-15)11-6-9-14(16)13-7-2-1-3-8-13/h1-3,7-8,14,19H,4-6,9-12H2,(H,17,18).
What are the key properties of 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol?
2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol has a molecular weight of 258.36 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2,3,4,5-tetrahydropyridin-6-ylamino)cyclopentan-1-ol is sourced from PubChem (CID 54553270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).