2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride

C16H23Cl3N2O2 — CID 75429799

IUPAC2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCC(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C16H22Cl2N2O2.ClH/c1-2-15(19)16(21)20-7-5-12(6-8-20)22-10-11-3-4-13(17)14(18)9-11;/h3-4,9,12,15H,2,5-8,10,19H2,1H3;1H
InChIKeyQHOCWWCRKBALLJ-UHFFFAOYSA-N
MW381.73 g/mol
LogP3.66
Rot. Bonds5

About 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride

2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 75429799) has the molecular formula C16H23Cl3N2O2 and a molecular weight of 381.73 g/mol. Its IUPAC name is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID75429799
Molecular FormulaC16H23Cl3N2O2
Molecular Weight381.73 g/mol
Exact Mass380.08
IUPAC Name2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCC(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.Cl
InChIInChI=1S/C16H22Cl2N2O2.ClH/c1-2-15(19)16(21)20-7-5-12(6-8-20)22-10-11-3-4-13(17)14(18)9-11;/h3-4,9,12,15H,2,5-8,10,19H2,1H3;1H
InChIKeyQHOCWWCRKBALLJ-UHFFFAOYSA-N
XLogP3.66
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.73
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride (CID 75429799) is 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride is CCC(N)C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1.Cl.
What is the InChIKey of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is QHOCWWCRKBALLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O2.ClH/c1-2-15(19)16(21)20-7-5-12(6-8-20)22-10-11-3-4-13(17)14(18)9-11;/h3-4,9,12,15H,2,5-8,10,19H2,1H3;1H.
What are the key properties of 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride?
2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 381.73 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[(3,4-dichlorophenyl)methoxy]piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 75429799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).