1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol

C14H23NO — CID 558690

IUPAC1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCN2CCCCC2)CCCCC1
InChIInChI=1S/C14H23NO/c16-14(8-3-1-4-9-14)10-7-13-15-11-5-2-6-12-15/h16H,1-6,8-9,11-13H2
InChIKeyJZLSCGJOGCMUIK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.17
Rot. Bonds1

About 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol

1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol (PubChem CID 558690) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol
PubChem CID558690
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol
SMILESOC1(C#CCN2CCCCC2)CCCCC1
InChIInChI=1S/C14H23NO/c16-14(8-3-1-4-9-14)10-7-13-15-11-5-2-6-12-15/h16H,1-6,8-9,11-13H2
InChIKeyJZLSCGJOGCMUIK-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
The IUPAC name of 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol (CID 558690) is 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
The canonical SMILES for 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol is OC1(C#CCN2CCCCC2)CCCCC1.
What is the InChIKey of 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
The InChIKey is JZLSCGJOGCMUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-14(8-3-1-4-9-14)10-7-13-15-11-5-2-6-12-15/h16H,1-6,8-9,11-13H2.
What are the key properties of 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol?
1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylprop-1-ynyl)cyclohexan-1-ol is sourced from PubChem (CID 558690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).