1-[1-(4-butoxyphenyl)cyclohexyl]piperidine

C21H33NO — CID 54582963

IUPAC1-[1-(4-butoxyphenyl)cyclohexyl]piperidine
SMILESCCCCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H33NO/c1-2-3-18-23-20-12-10-19(11-13-20)21(14-6-4-7-15-21)22-16-8-5-9-17-22/h10-13H,2-9,14-18H2,1H3
InChIKeyFNRNPGFYFBMGEO-UHFFFAOYSA-N
MW315.50 g/mol
LogP5.51
Rot. Bonds6

About 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine

1-[1-(4-butoxyphenyl)cyclohexyl]piperidine (PubChem CID 54582963) has the molecular formula C21H33NO and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-(4-butoxyphenyl)cyclohexyl]piperidine
PubChem CID54582963
Molecular FormulaC21H33NO
Molecular Weight315.50 g/mol
Exact Mass315.26
IUPAC Name1-[1-(4-butoxyphenyl)cyclohexyl]piperidine
SMILESCCCCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1
InChIInChI=1S/C21H33NO/c1-2-3-18-23-20-12-10-19(11-13-20)21(14-6-4-7-15-21)22-16-8-5-9-17-22/h10-13H,2-9,14-18H2,1H3
InChIKeyFNRNPGFYFBMGEO-UHFFFAOYSA-N
XLogP5.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine?
The IUPAC name of 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine (CID 54582963) is 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine?
The canonical SMILES for 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine is CCCCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1.
What is the InChIKey of 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine?
The InChIKey is FNRNPGFYFBMGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO/c1-2-3-18-23-20-12-10-19(11-13-20)21(14-6-4-7-15-21)22-16-8-5-9-17-22/h10-13H,2-9,14-18H2,1H3.
What are the key properties of 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine?
1-[1-(4-butoxyphenyl)cyclohexyl]piperidine has a molecular weight of 315.50 g/mol, XLogP of 5.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-butoxyphenyl)cyclohexyl]piperidine is sourced from PubChem (CID 54582963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).