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

C16H26N2O — CID 63852701

IUPAC1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C16H26N2O/c1-13(17-2)15-7-5-9-18(12-15)11-14-6-4-8-16(10-14)19-3/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3
InChIKeyKFMGWZZGGOFFKF-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.52
Rot. Bonds5

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

1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine (PubChem CID 63852701) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
PubChem CID63852701
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
SMILESCNC(C)C1CCCN(Cc2cccc(OC)c2)C1
InChIInChI=1S/C16H26N2O/c1-13(17-2)15-7-5-9-18(12-15)11-14-6-4-8-16(10-14)19-3/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3
InChIKeyKFMGWZZGGOFFKF-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63855146
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
N-methyl-1-[1-(pyridin-3-ylmethyl)piperidin-3-yl]ethanamine
CID 55256845
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
N-methyl-1-[1-(pyridin-4-ylmethyl)piperidin-3-yl]ethanamine
CID 63854795
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]butan-1-amine
CID 83980975
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-methoxyphenyl)methyl]-3-propan-2-yl-1,4-diazepane
CID 64858406
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
N-methyl-1-[1-(naphthalen-1-ylmethyl)piperidin-3-yl]ethanamine
CID 63854447

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The IUPAC name of 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine (CID 63852701) is 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine is CNC(C)C1CCCN(Cc2cccc(OC)c2)C1.
What is the InChIKey of 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
The InChIKey is KFMGWZZGGOFFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-2)15-7-5-9-18(12-15)11-14-6-4-8-16(10-14)19-3/h4,6,8,10,13,15,17H,5,7,9,11-12H2,1-3H3.
What are the key properties of 1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine?
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.52, 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-3-yl]-N-methylethanamine is sourced from PubChem (CID 63852701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).