(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol

C19H25NO — CID 750153

IUPAC(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
SMILESO[C@@](C#CCN1CCCC1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H25NO/c21-19(18-11-4-5-12-18,17-9-2-1-3-10-17)13-8-16-20-14-6-7-15-20/h1-3,9-10,18,21H,4-7,11-12,14-16H2/t19-/m0/s1
InChIKeyAVWNFUAIXNOOSJ-IBGZPJMESA-N
MW283.41 g/mol
LogP3.16
Rot. Bonds3

About (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol

(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol (PubChem CID 750153) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol.

Molecular Properties

Compound Name(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
PubChem CID750153
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC Name(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol
SMILESO[C@@](C#CCN1CCCC1)(c1ccccc1)C1CCCC1
InChIInChI=1S/C19H25NO/c21-19(18-11-4-5-12-18,17-9-2-1-3-10-17)13-8-16-20-14-6-7-15-20/h1-3,9-10,18,21H,4-7,11-12,14-16H2/t19-/m0/s1
InChIKeyAVWNFUAIXNOOSJ-IBGZPJMESA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.16
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-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
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
1-cyclopentyl-1-phenylpent-2-yn-1-ol
CID 59644486
1-cyclohexyl-1-phenyl-5-piperidin-1-ylpent-3-yn-1-ol
CID 2835415
1-(4-cyclohexyl-4,5-diphenylpent-2-ynyl)piperidine
CID 91963143
1-[(4S)-4-cyclohexyl-4,5-diphenylpent-2-ynyl]piperidine
CID 97466130
2-cyclohexyl-2-hydroxy-2-phenyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
CID 15023468
4-(azepan-1-ium-1-yl)-1-cyclopentyl-1-phenylbut-2-yn-1-ol
CID 3510563
(4-cyclopentyl-4-hydroxy-4-phenylbut-2-ynyl)-bis(2-hydroxyethyl)azanium
CID 3305805
2-methyl-3-phenyl-6-piperidin-1-ylhex-4-yn-3-ol
CID 3147113

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
The IUPAC name of (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol (CID 750153) is (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol.
What is the SMILES notation for (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
The canonical SMILES for (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is O[C@@](C#CCN1CCCC1)(c1ccccc1)C1CCCC1.
What is the InChIKey of (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
The InChIKey is AVWNFUAIXNOOSJ-IBGZPJMESA-N. The full InChI is InChI=1S/C19H25NO/c21-19(18-11-4-5-12-18,17-9-2-1-3-10-17)13-8-16-20-14-6-7-15-20/h1-3,9-10,18,21H,4-7,11-12,14-16H2/t19-/m0/s1.
What are the key properties of (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol?
(1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol has a molecular weight of 283.41 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopentyl-1-phenyl-4-pyrrolidin-1-ylbut-2-yn-1-ol is sourced from PubChem (CID 750153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).