(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol

C22H31ClN4O — CID 46902617

IUPAC(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol
SMILESCCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN4O/c1-2-3-4-5-12-26-15-21(27-14-19(24-25-27)16-6-7-16)22(28)13-20(26)17-8-10-18(23)11-9-17/h8-11,14,16,20-22,28H,2-7,12-13,15H2,1H3/t20-,21-,22-/m1/s1
InChIKeyVBSVTTLLONSJNC-YPAWHYETSA-N
MW402.97 g/mol
LogP4.74
Rot. Bonds8

About (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol

(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol (PubChem CID 46902617) has the molecular formula C22H31ClN4O and a molecular weight of 402.97 g/mol. Its IUPAC name is (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol.

Molecular Properties

Compound Name(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol
PubChem CID46902617
Molecular FormulaC22H31ClN4O
Molecular Weight402.97 g/mol
Exact Mass402.22
IUPAC Name(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol
SMILESCCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C22H31ClN4O/c1-2-3-4-5-12-26-15-21(27-14-19(24-25-27)16-6-7-16)22(28)13-20(26)17-8-10-18(23)11-9-17/h8-11,14,16,20-22,28H,2-7,12-13,15H2,1H3/t20-,21-,22-/m1/s1
InChIKeyVBSVTTLLONSJNC-YPAWHYETSA-N
XLogP4.74
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.97
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-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

(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-phenylpiperidin-3-ol
CID 46902507
1-{1-[(4-chlorophenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176206
(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]piperidin-3-ol
CID 46902523
1-[(2R,4S,5S)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxy-2-(4-methylphenyl)piperidin-1-yl]hexan-1-one
CID 46902546
[(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 46903201
(3R,4R,6R)-4-(4-cyclopropyltriazol-1-yl)-1-hexyl-6-phenylpiperidin-3-ol
CID 46902504
(3R,4R,6R)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)-6-(4-methylphenyl)piperidin-3-ol
CID 46902516
(3R,4R,6R)-6-(4-chlorophenyl)-4-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-3-ol
CID 46902521
(3R,4R,6R)-6-(4-chlorophenyl)-1-(cyclohexylmethyl)-4-(4-cyclopropyltriazol-1-yl)piperidin-3-ol
CID 46902524
1-[(2R,4S,5S)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]hexan-1-one
CID 46902554
1-[(2R,4S,5S)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-4-hydroxypiperidin-1-yl]hexan-1-one
CID 46902555
[(2R,4S,5S)-2-(4-chlorophenyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-4-hydroxypiperidin-1-yl]-cyclohexylmethanone
CID 46902557

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol?
The IUPAC name of (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol (CID 46902617) is (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol.
What is the SMILES notation for (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol?
The canonical SMILES for (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol is CCCCCCN1C[C@@H](n2cc(C3CC3)nn2)[C@H](O)C[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol?
The InChIKey is VBSVTTLLONSJNC-YPAWHYETSA-N. The full InChI is InChI=1S/C22H31ClN4O/c1-2-3-4-5-12-26-15-21(27-14-19(24-25-27)16-6-7-16)22(28)13-20(26)17-8-10-18(23)11-9-17/h8-11,14,16,20-22,28H,2-7,12-13,15H2,1H3/t20-,21-,22-/m1/s1.
What are the key properties of (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol?
(2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol has a molecular weight of 402.97 g/mol, XLogP of 4.74, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5R)-2-(4-chlorophenyl)-5-(4-cyclopropyltriazol-1-yl)-1-hexylpiperidin-4-ol is sourced from PubChem (CID 46902617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).