4-butoxy-4-cyclohexylpiperidine

C15H29NO — CID 66987977

IUPAC4-butoxy-4-cyclohexylpiperidine
SMILESCCCCOC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C15H29NO/c1-2-3-13-17-15(9-11-16-12-10-15)14-7-5-4-6-8-14/h14,16H,2-13H2,1H3
InChIKeyTVMCUPRSPUGLQQ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.51
Rot. Bonds5

About 4-butoxy-4-cyclohexylpiperidine

4-butoxy-4-cyclohexylpiperidine (PubChem CID 66987977) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 4-butoxy-4-cyclohexylpiperidine.

Molecular Properties

Compound Name4-butoxy-4-cyclohexylpiperidine
PubChem CID66987977
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name4-butoxy-4-cyclohexylpiperidine
SMILESCCCCOC1(C2CCCCC2)CCNCC1
InChIInChI=1S/C15H29NO/c1-2-3-13-17-15(9-11-16-12-10-15)14-7-5-4-6-8-14/h14,16H,2-13H2,1H3
InChIKeyTVMCUPRSPUGLQQ-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Oxa-9-azaspiro(5.5)undecane hydrochloride
CID 74889693
4-(Oxan-2-yl)piperidine
CID 84021623
4-Cyclohexyl-4-Piperidinol
CID 44598718
4-Cyclohexyl-4-methoxypiperidine hydrochloride
CID 140248326
1-Oxa-9-azaspiro[5.5]undecane
CID 22975593
2-[2-(2-Cyclohexylethoxy)ethyl]piperidine
CID 56829863
4-((Oxan-3-yl)methyl)piperidine hydrochloride
CID 137951570
rac-(2R,4S)-4-methyl-2-(oxan-4-yl)piperidine
CID 165942131
4-Cyclohexyl-4-methoxypiperidine
CID 105451072
2-(2,6-Dimethylcyclohexyl)-2-fluoromorpholine
CID 175482472
N-[3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methylheptyl]-4-methylcyclohexanamine
CID 4911193
1-Butyl-4-cyclohexyl-4-propoxypiperidine
CID 3030417

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-4-cyclohexylpiperidine?
The IUPAC name of 4-butoxy-4-cyclohexylpiperidine (CID 66987977) is 4-butoxy-4-cyclohexylpiperidine.
What is the SMILES notation for 4-butoxy-4-cyclohexylpiperidine?
The canonical SMILES for 4-butoxy-4-cyclohexylpiperidine is CCCCOC1(C2CCCCC2)CCNCC1.
What is the InChIKey of 4-butoxy-4-cyclohexylpiperidine?
The InChIKey is TVMCUPRSPUGLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-2-3-13-17-15(9-11-16-12-10-15)14-7-5-4-6-8-14/h14,16H,2-13H2,1H3.
What are the key properties of 4-butoxy-4-cyclohexylpiperidine?
4-butoxy-4-cyclohexylpiperidine has a molecular weight of 239.40 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-4-cyclohexylpiperidine is sourced from PubChem (CID 66987977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).