1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol

C13H25NO — CID 14044372

IUPAC1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol
SMILESOC1(CCCN2CCCC2)CCCCC1
InChIInChI=1S/C13H25NO/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14/h15H,1-12H2
InChIKeyKPPMOAITKLASEF-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.56
Rot. Bonds4

About 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol

1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol (PubChem CID 14044372) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol
PubChem CID14044372
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol
SMILESOC1(CCCN2CCCC2)CCCCC1
InChIInChI=1S/C13H25NO/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14/h15H,1-12H2
InChIKeyKPPMOAITKLASEF-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol (CID 14044372) is 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol is OC1(CCCN2CCCC2)CCCCC1.
What is the InChIKey of 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol?
The InChIKey is KPPMOAITKLASEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14/h15H,1-12H2.
What are the key properties of 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol?
1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-ol is sourced from PubChem (CID 14044372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).