1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol

C22H31NO — CID 2835415

IUPAC1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
SMILESOC(CC#CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H31NO/c24-22(20-12-4-1-5-13-20,21-14-6-2-7-15-21)16-8-11-19-23-17-9-3-10-18-23/h1,4-5,12-13,21,24H,2-3,6-7,9-10,14-19H2
InChIKeyQZXZGJRMQFZVOV-UHFFFAOYSA-N
MW325.50 g/mol
LogP4.33
Rot. Bonds4

About 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol

1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol (PubChem CID 2835415) has the molecular formula C22H31NO and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
PubChem CID2835415
Molecular FormulaC22H31NO
Molecular Weight325.50 g/mol
Exact Mass325.24
IUPAC Name1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
SMILESOC(CC#CCN1CCCCC1)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C22H31NO/c24-22(20-12-4-1-5-13-20,21-14-6-2-7-15-21)16-8-11-19-23-17-9-3-10-18-23/h1,4-5,12-13,21,24H,2-3,6-7,9-10,14-19H2
InChIKeyQZXZGJRMQFZVOV-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyl-5-morpholin-4-yl-1-phenylpent-3-yn-1-ol
CID 3796182
1-cyclopentyl-5-(4-methylpiperazin-1-yl)-1-phenylpent-3-yn-1-ol;hydrochloride
CID 5309456
1-cyclohexyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 24837075
4-(azepan-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol;hydrochloride
CID 2915878
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
CID 750153
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
1-cyclohexyl-1-phenyl-5-pyrrolidin-1-ium-1-ylpent-3-yn-1-ol chloride
CID 44658814
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1-cyclohexyl-5-(diethylamino)-1-phenylpent-3-yn-1-ol chloride
CID 53350693
5-(azepan-1-yl)-1-phenyl-1-(4-phenylphenyl)pent-3-yn-1-ol;hydrochloride
CID 52997704
1-(4-cyclohexyl-4,5-diphenylpent-2-ynyl)piperidine
CID 91963143

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol?
The IUPAC name of 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol (CID 2835415) is 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol.
What is the SMILES notation for 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol?
The canonical SMILES for 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol is OC(CC#CCN1CCCCC1)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol?
The InChIKey is QZXZGJRMQFZVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31NO/c24-22(20-12-4-1-5-13-20,21-14-6-2-7-15-21)16-8-11-19-23-17-9-3-10-18-23/h1,4-5,12-13,21,24H,2-3,6-7,9-10,14-19H2.
What are the key properties of 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol?
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol has a molecular weight of 325.50 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol is sourced from PubChem (CID 2835415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).