1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

C18H27NO — CID 11778080

IUPAC1-[1-(3-methoxyphenyl)cyclohexyl]piperidine
SMILESCOc1cccc(C2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
InChIKeyBQQSZHHKGPOXLN-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.34
Rot. Bonds3

About 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine

1-[1-(3-methoxyphenyl)cyclohexyl]piperidine (PubChem CID 11778080) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)cyclohexyl]piperidine
PubChem CID11778080
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name1-[1-(3-methoxyphenyl)cyclohexyl]piperidine
SMILESCOc1cccc(C2(N3CCCCC3)CCCCC2)c1
InChIInChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3
InChIKeyBQQSZHHKGPOXLN-UHFFFAOYSA-N
XLogP4.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine?
The IUPAC name of 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine (CID 11778080) is 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine?
The canonical SMILES for 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine is COc1cccc(C2(N3CCCCC3)CCCCC2)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine?
The InChIKey is BQQSZHHKGPOXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-20-17-10-8-9-16(15-17)18(11-4-2-5-12-18)19-13-6-3-7-14-19/h8-10,15H,2-7,11-14H2,1H3.
What are the key properties of 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine?
1-[1-(3-methoxyphenyl)cyclohexyl]piperidine has a molecular weight of 273.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)cyclohexyl]piperidine is sourced from PubChem (CID 11778080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).