1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine

C17H32ClNO — CID 177262955

IUPAC1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine
SMILESClC1CCC(CCCOCCCN2CCCCC2)CC1
InChIInChI=1S/C17H32ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h16-17H,1-15H2
InChIKeyKPVXBOQMYDCFPT-UHFFFAOYSA-N
MW301.90 g/mol
LogP4.46
Rot. Bonds8

About 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine

1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine (PubChem CID 177262955) has the molecular formula C17H32ClNO and a molecular weight of 301.90 g/mol. Its IUPAC name is 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine.

Molecular Properties

Compound Name1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine
PubChem CID177262955
Molecular FormulaC17H32ClNO
Molecular Weight301.90 g/mol
Exact Mass301.22
IUPAC Name1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine
SMILESClC1CCC(CCCOCCCN2CCCCC2)CC1
InChIInChI=1S/C17H32ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h16-17H,1-15H2
InChIKeyKPVXBOQMYDCFPT-UHFFFAOYSA-N
XLogP4.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.90
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine?
The IUPAC name of 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine (CID 177262955) is 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine.
What is the SMILES notation for 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine?
The canonical SMILES for 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine is ClC1CCC(CCCOCCCN2CCCCC2)CC1.
What is the InChIKey of 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine?
The InChIKey is KPVXBOQMYDCFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h16-17H,1-15H2.
What are the key properties of 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine?
1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine has a molecular weight of 301.90 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(4-chlorocyclohexyl)propoxy]propyl]piperidine is sourced from PubChem (CID 177262955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).