3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride

C19H25ClN2O — CID 119925173

IUPAC3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2cccc(Oc3ccccc3)c2)CCC1N.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-15-13-21(11-10-19(15)20)14-16-6-5-9-18(12-16)22-17-7-3-2-4-8-17;/h2-9,12,15,19H,10-11,13-14,20H2,1H3;1H
InChIKeyOSIJTXSFZXBVRE-UHFFFAOYSA-N
MW332.88 g/mol
LogP4.07
Rot. Bonds4

About 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride

3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119925173) has the molecular formula C19H25ClN2O and a molecular weight of 332.88 g/mol. Its IUPAC name is 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119925173
Molecular FormulaC19H25ClN2O
Molecular Weight332.88 g/mol
Exact Mass332.17
IUPAC Name3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCC1CN(Cc2cccc(Oc3ccccc3)c2)CCC1N.Cl
InChIInChI=1S/C19H24N2O.ClH/c1-15-13-21(11-10-19(15)20)14-16-6-5-9-18(12-16)22-17-7-3-2-4-8-17;/h2-9,12,15,19H,10-11,13-14,20H2,1H3;1H
InChIKeyOSIJTXSFZXBVRE-UHFFFAOYSA-N
XLogP4.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.88
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride 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-methyl-1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
CID 79880248
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
2-methyl-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 174891320
1-benzyl-4-[(3-phenoxyphenyl)methyl]piperazine
CID 1376909
(2S,6R)-2,6-dimethyl-4-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]morpholine
CID 7344375
(3S)-1-[[3-(2-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 162331548
4-methyl-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-amine
CID 107104811
1-[(3,4-dichlorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79879309
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-(2-methylpropyl)-4-[(3-phenoxyphenyl)methyl]piperazine
CID 175322181
1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-amine
CID 59681853
2-[methyl-[1-[(3-phenoxyphenyl)methyl]piperidin-4-yl]amino]acetic acid
CID 122042964

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride (CID 119925173) is 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride is CC1CN(Cc2cccc(Oc3ccccc3)c2)CCC1N.Cl.
What is the InChIKey of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is OSIJTXSFZXBVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O.ClH/c1-15-13-21(11-10-19(15)20)14-16-6-5-9-18(12-16)22-17-7-3-2-4-8-17;/h2-9,12,15,19H,10-11,13-14,20H2,1H3;1H.
What are the key properties of 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 332.88 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119925173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).