[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine

C15H23ClN2O — CID 65026475

IUPAC[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCOc1ccc(CN2CC(CN)CCC2C)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-11-3-4-13(8-17)10-18(11)9-12-5-6-15(19-2)14(16)7-12/h5-7,11,13H,3-4,8-10,17H2,1-2H3
InChIKeyHQHIJRRPZLRGOX-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.91
Rot. Bonds4

About [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine

[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine (PubChem CID 65026475) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
PubChem CID65026475
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCOc1ccc(CN2CC(CN)CCC2C)cc1Cl
InChIInChI=1S/C15H23ClN2O/c1-11-3-4-13(8-17)10-18(11)9-12-5-6-15(19-2)14(16)7-12/h5-7,11,13H,3-4,8-10,17H2,1-2H3
InChIKeyHQHIJRRPZLRGOX-UHFFFAOYSA-N
XLogP2.91
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 65340682
4-[[5-(aminomethyl)-2-methylpiperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106792785
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
[1-[(4-bromo-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 66480996
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031
[1-[(4-methoxy-3-nitrophenyl)methyl]-5-methylpyrrolidin-3-yl]methanamine
CID 115486193
[1-[(4-chloro-3-methylphenyl)methyl]-6-methylpiperidin-3-yl]methanol
CID 110022481
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
1-[[3-(aminomethyl)-4-methoxyphenyl]methyl]-6-methylpiperidine-3-carboxamide
CID 65338326
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
[6-methyl-1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanamine
CID 62126736

Frequently Asked Questions

What is the IUPAC name of [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine (CID 65026475) is [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine is COc1ccc(CN2CC(CN)CCC2C)cc1Cl.
What is the InChIKey of [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The InChIKey is HQHIJRRPZLRGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O/c1-11-3-4-13(8-17)10-18(11)9-12-5-6-15(19-2)14(16)7-12/h5-7,11,13H,3-4,8-10,17H2,1-2H3.
What are the key properties of [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine has a molecular weight of 282.81 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 65026475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).