1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine

C28H35N — CID 97466130

IUPAC1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine
SMILESC(#C[C@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1
InChIInChI=1S/C28H35N/c1-5-14-25(15-6-1)24-28(26-16-7-2-8-17-26,27-18-9-3-10-19-27)20-13-23-29-21-11-4-12-22-29/h1-2,5-8,14-17,27H,3-4,9-12,18-19,21-24H2/t28-/m0/s1
InChIKeyXQEFZYKXDMKSHF-NDEPHWFRSA-N
MW385.60 g/mol
LogP6.24
Rot. Bonds5

About 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine

1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine (PubChem CID 97466130) has the molecular formula C28H35N and a molecular weight of 385.60 g/mol. Its IUPAC name is 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine.

Molecular Properties

Compound Name1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine
PubChem CID97466130
Molecular FormulaC28H35N
Molecular Weight385.60 g/mol
Exact Mass385.28
IUPAC Name1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine
SMILESC(#C[C@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1
InChIInChI=1S/C28H35N/c1-5-14-25(15-6-1)24-28(26-16-7-2-8-17-26,27-18-9-3-10-19-27)20-13-23-29-21-11-4-12-22-29/h1-2,5-8,14-17,27H,3-4,9-12,18-19,21-24H2/t28-/m0/s1
InChIKeyXQEFZYKXDMKSHF-NDEPHWFRSA-N
XLogP6.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.60
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyclohexyl-4,5-diphenylpent-2-ynyl)piperidine
CID 91963143
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
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 3147113
(3S)-2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 831838
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-2-yn-1-ol
CID 2835413
1-cyclopropyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol
CID 658760
2-cyclohexyl-2-hydroxy-N-[4-(4-methylpiperazin-1-yl)but-2-ynyl]-2-phenylacetamide
CID 14931307

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine?
The IUPAC name of 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine (CID 97466130) is 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine.
What is the SMILES notation for 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine?
The canonical SMILES for 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine is C(#C[C@](Cc1ccccc1)(c1ccccc1)C1CCCCC1)CN1CCCCC1.
What is the InChIKey of 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine?
The InChIKey is XQEFZYKXDMKSHF-NDEPHWFRSA-N. The full InChI is InChI=1S/C28H35N/c1-5-14-25(15-6-1)24-28(26-16-7-2-8-17-26,27-18-9-3-10-19-27)20-13-23-29-21-11-4-12-22-29/h1-2,5-8,14-17,27H,3-4,9-12,18-19,21-24H2/t28-/m0/s1.
What are the key properties of 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine?
1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine has a molecular weight of 385.60 g/mol, XLogP of 6.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine is sourced from PubChem (CID 97466130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).