1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol

C19H35NO — CID 10357069

IUPAC1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H35NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h17-18,21H,1-16H2
InChIKeyDLXBLBRIIHVURC-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.36
Rot. Bonds5

About 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol

1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol (PubChem CID 10357069) has the molecular formula C19H35NO and a molecular weight of 293.50 g/mol. Its IUPAC name is 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
PubChem CID10357069
Molecular FormulaC19H35NO
Molecular Weight293.50 g/mol
Exact Mass293.27
IUPAC Name1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol
SMILESOC(CCN1CCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C19H35NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h17-18,21H,1-16H2
InChIKeyDLXBLBRIIHVURC-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol
CID 10636409
(1S)-1-cyclopentyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;hydrochloride
CID 46878511
1-cyclohexyl-1-phenyl-3-piperidin-1-ylpropan-1-ol;iodomethane
CID 21127105
1,1-dicyclohexylpentane-1,5-diol
CID 22179017
1-(3,3-dimethylbutyl)azocane
CID 166986973
1-cyclopentyl-1-cyclopropylpropan-1-ol
CID 64917248
1-(3-cyclohexylpropyl)piperidine
CID 21333467
(1R)-1-cyclohexyl-1-(4-ethoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 1114639
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
dilithium;2-hydroxy-2-(2-piperidin-1-ylethyl)propanedioate
CID 67645808
2-amino-1-cycloheptyl-1-cyclopropylethanol
CID 82928815
2-cyclohexyl-2-phenyl-4-piperidin-1-ylbutanenitrile
CID 24842565

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
The IUPAC name of 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol (CID 10357069) is 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol.
What is the SMILES notation for 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
The canonical SMILES for 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol is OC(CCN1CCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
The InChIKey is DLXBLBRIIHVURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35NO/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20/h17-18,21H,1-16H2.
What are the key properties of 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol?
1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol has a molecular weight of 293.50 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-3-pyrrolidin-1-ylpropan-1-ol is sourced from PubChem (CID 10357069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).