1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride

C14H23ClN2O2 — CID 119041063

IUPAC1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCOc1cc(CN2CCC(N)CC2)cc(OC)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-17-13-7-11(8-14(9-13)18-2)10-16-5-3-12(15)4-6-16;/h7-9,12H,3-6,10,15H2,1-2H3;1H
InChIKeyKQTRZDVPHKFEKD-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.05
Rot. Bonds4

About 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride

1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride (PubChem CID 119041063) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
PubChem CID119041063
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride
SMILESCOc1cc(CN2CCC(N)CC2)cc(OC)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-17-13-7-11(8-14(9-13)18-2)10-16-5-3-12(15)4-6-16;/h7-9,12H,3-6,10,15H2,1-2H3;1H
InChIKeyKQTRZDVPHKFEKD-UHFFFAOYSA-N
XLogP2.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-dimethoxyphenyl)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

1-[(3,5-dimethoxyphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781581
1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-ol
CID 81148745
3-methoxy-5-[(4-propylpiperidin-1-yl)methyl]aniline
CID 81150307
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3,5-dimethoxyphenyl)methyl]-4-(2-methylpyrazol-3-yl)piperidine
CID 75439131
3-methoxy-5-[(4-methylsulfanylpiperidin-1-yl)methyl]aniline
CID 114236550
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
1-[[3-ethoxy-5-(oxan-4-yloxy)phenyl]methyl]piperidin-4-amine
CID 141150970
1-[(4-methylphenyl)methyl]piperidin-4-amine;hydrochloride
CID 17221614
N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 163351114
3-[[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]pyridine
CID 86921160

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride (CID 119041063) is 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride is COc1cc(CN2CCC(N)CC2)cc(OC)c1.Cl.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
The InChIKey is KQTRZDVPHKFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-17-13-7-11(8-14(9-13)18-2)10-16-5-3-12(15)4-6-16;/h7-9,12H,3-6,10,15H2,1-2H3;1H.
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride?
1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119041063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).