2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

C15H25ClN2O — CID 120728614

IUPAC2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCOc1ccccc1CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-18-15-7-3-2-6-14(15)12-17-10-4-5-13(11-17)8-9-16;/h2-3,6-7,13H,4-5,8-12,16H2,1H3;1H
InChIKeyBOJOEBDUKKHRDU-UHFFFAOYSA-N
MW284.83 g/mol
LogP2.68
Rot. Bonds5

About 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride

2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728614) has the molecular formula C15H25ClN2O and a molecular weight of 284.83 g/mol. Its IUPAC name is 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728614
Molecular FormulaC15H25ClN2O
Molecular Weight284.83 g/mol
Exact Mass284.17
IUPAC Name2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCOc1ccccc1CN1CCCC(CCN)C1.Cl
InChIInChI=1S/C15H24N2O.ClH/c1-18-15-7-3-2-6-14(15)12-17-10-4-5-13(11-17)8-9-16;/h2-3,6-7,13H,4-5,8-12,16H2,1H3;1H
InChIKeyBOJOEBDUKKHRDU-UHFFFAOYSA-N
XLogP2.68
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.83
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;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-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 75514876
3-(bromomethyl)-1-[(2-methoxyphenyl)methyl]piperidine
CID 80680227
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
N-[[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 62582034
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
[1-[(2-propoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 54794622
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
1-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanone
CID 63845803
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
2-[1-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728608

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728614) is 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is COc1ccccc1CN1CCCC(CCN)C1.Cl.
What is the InChIKey of 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is BOJOEBDUKKHRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O.ClH/c1-18-15-7-3-2-6-14(15)12-17-10-4-5-13(11-17)8-9-16;/h2-3,6-7,13H,4-5,8-12,16H2,1H3;1H.
What are the key properties of 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 284.83 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).