1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine

C15H24N2O — CID 55138843

IUPAC1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1cccc(OC)c1
InChIInChI=1S/C15H24N2O/c1-16-11-14-7-3-4-9-17(14)12-13-6-5-8-15(10-13)18-2/h5-6,8,10,14,16H,3-4,7,9,11-12H2,1-2H3
InChIKeyFXYFNXJEJZHLQR-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.27
Rot. Bonds5

About 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine

1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine (PubChem CID 55138843) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
PubChem CID55138843
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCCN1Cc1cccc(OC)c1
InChIInChI=1S/C15H24N2O/c1-16-11-14-7-3-4-9-17(14)12-13-6-5-8-15(10-13)18-2/h5-6,8,10,14,16H,3-4,7,9,11-12H2,1-2H3
InChIKeyFXYFNXJEJZHLQR-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]methyl]propan-2-amine
CID 62581473
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]piperidin-2-yl]methanamine
CID 63249708
2-(chloromethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 63386922
1-[1-[(6-methoxynaphthalen-2-yl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 115315996
N-methyl-1-[1-[(3-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 119928485
methyl 2-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]acetate
CID 62028081
2-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 61369953
N-methyl-1-[1-[(3-phenylmethoxyphenyl)methyl]azetidin-2-yl]methanamine
CID 129211083
1-[1-[(2-ethyl-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 120842813
(1S)-1-[(2R)-1-[(3-methoxyphenyl)methyl]piperidin-2-yl]ethanol
CID 95342192
1-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 55168540
1-[1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine
CID 54986057

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine (CID 55138843) is 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine is CNCC1CCCCN1Cc1cccc(OC)c1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
The InChIKey is FXYFNXJEJZHLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-11-14-7-3-4-9-17(14)12-13-6-5-8-15(10-13)18-2/h5-6,8,10,14,16H,3-4,7,9,11-12H2,1-2H3.
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine?
1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-methoxyphenyl)methyl]piperidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 55138843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).