3-[(3-methoxyphenyl)methyl]piperidin-4-amine

C13H20N2O — CID 84787596

IUPAC3-[(3-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1cccc(CC2CNCCC2N)c1
InChIInChI=1S/C13H20N2O/c1-16-12-4-2-3-10(8-12)7-11-9-15-6-5-13(11)14/h2-4,8,11,13,15H,5-7,9,14H2,1H3
InChIKeyCOHGFZCFFRTGBG-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.17
Rot. Bonds3

About 3-[(3-methoxyphenyl)methyl]piperidin-4-amine

3-[(3-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 84787596) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(3-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name3-[(3-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID84787596
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(3-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1cccc(CC2CNCCC2N)c1
InChIInChI=1S/C13H20N2O/c1-16-12-4-2-3-10(8-12)7-11-9-15-6-5-13(11)14/h2-4,8,11,13,15H,5-7,9,14H2,1H3
InChIKeyCOHGFZCFFRTGBG-UHFFFAOYSA-N
XLogP1.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(3-methoxyphenyl)methyl]piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-methoxyphenyl)methyl]cyclobutyl]methanamine
CID 81011141
3-(3-methoxyphenyl)piperidin-4-amine
CID 82610675
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide
CID 119978714
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
3-[(3-methoxyphenyl)methoxy]pyrrolidine
CID 20735282
1-(3-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylmethanesulfonamide;hydrochloride
CID 119978713
(3S,4S)-3,4-bis[(3-methoxyphenyl)methyl]oxolane
CID 10267530
3-[(3-methoxyphenyl)methyl]-2-methylcyclopentan-1-ol
CID 64909880
3-[(3-chlorophenyl)methyl]-4-methoxypiperidine
CID 84736905
4-[(4-aminopiperidin-3-yl)methyl]phenol
CID 84779211
1-methoxy-3-[(4-methylcyclohexyl)methyl]benzene
CID 70967395
2-(3-methoxyphenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120556859

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 3-[(3-methoxyphenyl)methyl]piperidin-4-amine (CID 84787596) is 3-[(3-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 3-[(3-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 3-[(3-methoxyphenyl)methyl]piperidin-4-amine is COc1cccc(CC2CNCCC2N)c1.
What is the InChIKey of 3-[(3-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is COHGFZCFFRTGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-16-12-4-2-3-10(8-12)7-11-9-15-6-5-13(11)14/h2-4,8,11,13,15H,5-7,9,14H2,1H3.
What are the key properties of 3-[(3-methoxyphenyl)methyl]piperidin-4-amine?
3-[(3-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 220.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 84787596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).