1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine

C15H24N2O — CID 62420766

IUPAC1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCC(OC)CC2)c1
InChIInChI=1S/C15H24N2O/c1-16-11-13-4-3-5-14(10-13)12-17-8-6-15(18-2)7-9-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3
InChIKeyRRPJRHPWXKHBSK-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.02
Rot. Bonds5

About 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine

1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 62420766) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID62420766
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(CN2CCC(OC)CC2)c1
InChIInChI=1S/C15H24N2O/c1-16-11-13-4-3-5-14(10-13)12-17-8-6-15(18-2)7-9-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3
InChIKeyRRPJRHPWXKHBSK-UHFFFAOYSA-N
XLogP2.02
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[3-[(4-methylazepan-1-yl)methyl]phenyl]methanamine
CID 55249216
N-[[3-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 103539708
N-methyl-1-[3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63167107
3-[(4-methoxypiperidin-1-yl)methyl]benzenecarbothioamide
CID 43372945
N-methyl-1-[3-[(3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 62439444
1-[3-[(4,4-diethylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 63163114
1-[3-[(4-methoxypiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62420012
N-[[3-[(4-ethoxypiperidin-1-yl)methyl]phenyl]methyl]propan-2-amine
CID 62426943
(3S)-1-[(3-bromophenyl)methyl]-3-methoxypyrrolidine
CID 172647705
N-[[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62420771
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]phenyl]methyl]propan-2-amine
CID 63980069
[4-[(4-methoxypiperidin-1-yl)methyl]phenyl]methanol
CID 112631146

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine (CID 62420766) is 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine is CNCc1cccc(CN2CCC(OC)CC2)c1.
What is the InChIKey of 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is RRPJRHPWXKHBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-11-13-4-3-5-14(10-13)12-17-8-6-15(18-2)7-9-17/h3-5,10,15-16H,6-9,11-12H2,1-2H3.
What are the key properties of 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methoxypiperidin-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62420766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).