1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine

C20H26N2O — CID 39308220

IUPAC1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
SMILESCc1cccc(COc2cccc(CN3CCC(N)CC3)c2)c1
InChIInChI=1S/C20H26N2O/c1-16-4-2-6-18(12-16)15-23-20-7-3-5-17(13-20)14-22-10-8-19(21)9-11-22/h2-7,12-13,19H,8-11,14-15,21H2,1H3
InChIKeyCBAHPFUBUHZHPI-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.50
Rot. Bonds5

About 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine

1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine (PubChem CID 39308220) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
PubChem CID39308220
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine
SMILESCc1cccc(COc2cccc(CN3CCC(N)CC3)c2)c1
InChIInChI=1S/C20H26N2O/c1-16-4-2-6-18(12-16)15-23-20-7-3-5-17(13-20)14-22-10-8-19(21)9-11-22/h2-7,12-13,19H,8-11,14-15,21H2,1H3
InChIKeyCBAHPFUBUHZHPI-UHFFFAOYSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[[3-[(3-methylphenyl)methoxy]phenyl]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

3,3-dimethyl-1-[(3-phenylmethoxyphenyl)methyl]piperidin-4-amine
CID 120776218
(3-aminopyrrolidin-1-yl)-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 146081197
1-(3-aminopiperidin-1-yl)-2-[3-[(3-methylphenyl)methoxy]phenyl]ethanone
CID 119378819
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3-phenylmethoxyphenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910073
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62593278
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
(3S)-1-[(3-methylphenyl)methyl]piperidin-3-amine
CID 24904607
N-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119927879
N-methyl-1-[(3-phenylmethoxyphenyl)methyl]pyrrolidin-3-amine
CID 119905641
oxalic acid;1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23724163
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
The IUPAC name of 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine (CID 39308220) is 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine.
What is the SMILES notation for 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
The canonical SMILES for 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine is Cc1cccc(COc2cccc(CN3CCC(N)CC3)c2)c1.
What is the InChIKey of 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
The InChIKey is CBAHPFUBUHZHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-4-2-6-18(12-16)15-23-20-7-3-5-17(13-20)14-22-10-8-19(21)9-11-22/h2-7,12-13,19H,8-11,14-15,21H2,1H3.
What are the key properties of 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine?
1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine has a molecular weight of 310.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3-methylphenyl)methoxy]phenyl]methyl]piperidin-4-amine is sourced from PubChem (CID 39308220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).