2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine

C21H34N2O — CID 134149335

IUPAC2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OCc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-22-13-16-23-14-11-21(12-15-23)24-17-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h7-10,19,21-22H,2-6,11-17H2,1H3
InChIKeySVGZJNSANYCCJO-UHFFFAOYSA-N
MW330.52 g/mol
LogP3.93
Rot. Bonds7

About 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine

2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine (PubChem CID 134149335) has the molecular formula C21H34N2O and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine
PubChem CID134149335
Molecular FormulaC21H34N2O
Molecular Weight330.52 g/mol
Exact Mass330.27
IUPAC Name2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine
SMILESCNCCN1CCC(OCc2ccc(C3CCCCC3)cc2)CC1
InChIInChI=1S/C21H34N2O/c1-22-13-16-23-14-11-21(12-15-23)24-17-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h7-10,19,21-22H,2-6,11-17H2,1H3
InChIKeySVGZJNSANYCCJO-UHFFFAOYSA-N
XLogP3.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The IUPAC name of 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine (CID 134149335) is 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The canonical SMILES for 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine is CNCCN1CCC(OCc2ccc(C3CCCCC3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
The InChIKey is SVGZJNSANYCCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O/c1-22-13-16-23-14-11-21(12-15-23)24-17-18-7-9-20(10-8-18)19-5-3-2-4-6-19/h7-10,19,21-22H,2-6,11-17H2,1H3.
What are the key properties of 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine?
2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine has a molecular weight of 330.52 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-cyclohexylphenyl)methoxy]piperidin-1-yl]-N-methylethanamine is sourced from PubChem (CID 134149335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).