1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride

C18H28ClNO — CID 71750128

IUPAC1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
SMILESCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19;/h8-11H,2-7,12-15H2,1H3;1H
InChIKeyFYAFJNVLHWQLHK-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.76
Rot. Bonds3

About 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride

1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride (PubChem CID 71750128) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
PubChem CID71750128
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Name1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride
SMILESCOc1ccc(C2(N3CCCCC3)CCCCC2)cc1.Cl
InChIInChI=1S/C18H27NO.ClH/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19;/h8-11H,2-7,12-15H2,1H3;1H
InChIKeyFYAFJNVLHWQLHK-UHFFFAOYSA-N
XLogP4.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxyphenyl)-4-pyrrolidin-1-ylpiperidine
CID 82301932
1-[1-(4-phenylphenyl)cyclohexyl]piperidine
CID 12704483
(8aR)-8a-phenyl-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 101053650
(4-methoxyphenyl)-(1-piperidin-1-ylcyclopentyl)methanone
CID 79057208
4-[1-(4-methylphenyl)cyclohexyl]morpholine;hydrochloride
CID 51350060
1-(4-methoxyphenyl)cyclohexane-1-carbaldehyde
CID 23587235
1-[1-[2-(4-methoxyphenyl)ethynyl]cyclopropyl]piperidine
CID 101456771
(8aS)-8a-(4-methoxyphenyl)-2,3,4,6,7,8-hexahydro-1H-pyrrolo[1,2-a]pyrimidine
CID 92569414
3-(1-phenylcyclohexyl)-3-azaspiro[5.5]undecane;hydrochloride
CID 138398579
1-(4-methoxyphenyl)piperidine
CID 10130315
1-[1-(1,3-benzodioxol-5-yl)cyclohexyl]piperidine
CID 165360308
1-[1-(3-chloro-4-fluorophenyl)cyclohexyl]pyrrolidine
CID 174316322

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride?
The IUPAC name of 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride (CID 71750128) is 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride?
The canonical SMILES for 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride is COc1ccc(C2(N3CCCCC3)CCCCC2)cc1.Cl.
What is the InChIKey of 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride?
The InChIKey is FYAFJNVLHWQLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19;/h8-11H,2-7,12-15H2,1H3;1H.
What are the key properties of 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride?
1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine;hydrochloride is sourced from PubChem (CID 71750128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).