1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

C26H37N3O — CID 45232683

IUPAC1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1ccc(CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C26H37N3O/c1-30-26-13-11-22(12-14-26)18-28(19-23-7-5-15-27-17-23)20-24-8-6-16-29(21-24)25-9-3-2-4-10-25/h5,7,11-15,17,24-25H,2-4,6,8-10,16,18-21H2,1H3
InChIKeyUUMAUVSIEXCNHI-UHFFFAOYSA-N
MW407.60 g/mol
LogP5.14
Rot. Bonds8

About 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine

1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 45232683) has the molecular formula C26H37N3O and a molecular weight of 407.60 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID45232683
Molecular FormulaC26H37N3O
Molecular Weight407.60 g/mol
Exact Mass407.29
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCOc1ccc(CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)cc1
InChIInChI=1S/C26H37N3O/c1-30-26-13-11-22(12-14-26)18-28(19-23-7-5-15-27-17-23)20-24-8-6-16-29(21-24)25-9-3-2-4-10-25/h5,7,11-15,17,24-25H,2-4,6,8-10,16,18-21H2,1H3
InChIKeyUUMAUVSIEXCNHI-UHFFFAOYSA-N
XLogP5.14
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.60
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S)-1-cyclohexylpiperidin-3-yl]-N-[(3,4-dimethoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42519066
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 42521827
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 25274473
1-(1-cyclohexylpiperidin-3-yl)-N-(1H-pyrazol-5-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45197766
1-[(3R)-1-cyclohexylpiperidin-3-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 97271472
1-(1-cyclohexylpiperidin-3-yl)-N-[(2,3-difluorophenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45185942
2-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethoxyphenol
CID 42291480
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-methoxy-N-(pyridin-3-ylmethyl)propanamide
CID 42515288
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-3-pyrazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 42198636
1-(1-cyclohexylpiperidin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-N-(pyridin-3-ylmethyl)methanamine
CID 45177609
N-[[(3R)-1-cyclohexylpiperidin-3-yl]methyl]-N-(pyridin-3-ylmethyl)pyrrolidine-1-carboxamide
CID 97281081
2-(4-methoxyphenyl)-N-[(1-methylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)ethanamine
CID 25289668

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 45232683) is 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is COc1ccc(CN(Cc2cccnc2)CC2CCCN(C3CCCCC3)C2)cc1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is UUMAUVSIEXCNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O/c1-30-26-13-11-22(12-14-26)18-28(19-23-7-5-15-27-17-23)20-24-8-6-16-29(21-24)25-9-3-2-4-10-25/h5,7,11-15,17,24-25H,2-4,6,8-10,16,18-21H2,1H3.
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine?
1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 407.60 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-N-[(4-methoxyphenyl)methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 45232683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).