1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride

C15H21Cl3N2O — CID 119379855

IUPAC1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O.ClH/c16-13-7-6-11(9-14(13)17)3-1-5-15(20)19-8-2-4-12(18)10-19;/h6-7,9,12H,1-5,8,10,18H2;1H
InChIKeyHMRHNFLPFRPCSG-UHFFFAOYSA-N
MW351.71 g/mol
LogP3.69
Rot. Bonds4

About 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride

1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride (PubChem CID 119379855) has the molecular formula C15H21Cl3N2O and a molecular weight of 351.71 g/mol. Its IUPAC name is 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
PubChem CID119379855
Molecular FormulaC15H21Cl3N2O
Molecular Weight351.71 g/mol
Exact Mass350.07
IUPAC Name1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride
SMILESCl.NC1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C15H20Cl2N2O.ClH/c16-13-7-6-11(9-14(13)17)3-1-5-15(20)19-8-2-4-12(18)10-19;/h6-7,9,12H,1-5,8,10,18H2;1H
InChIKeyHMRHNFLPFRPCSG-UHFFFAOYSA-N
XLogP3.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.71
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)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

Related Compounds

1-[(3S)-3-aminopiperidin-1-yl]-4-(4-chlorophenyl)butan-1-one;hydrochloride
CID 154895459
4-(3,4-dichlorophenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119397212
1-(3-aminopiperidin-1-yl)-4-(4-methylphenyl)butan-1-one
CID 115277247
1-(3-aminopiperidin-1-yl)-4-(9H-fluoren-3-yl)butan-1-one
CID 119381181
4-(3,4-dichlorophenyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 110897013
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
4-(3,4-dichlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83931253
4-(3,4-dichlorophenyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119545173
3-(3,4-dichlorophenyl)-1-[3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 110416463
3-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylpropan-1-one;methanamine
CID 145472486
1-(3-aminopiperidin-1-yl)-3-(4-ethylphenyl)propan-1-one
CID 115277223
1-(3-aminopiperidin-1-yl)-2-(4-butylphenyl)ethanone;hydrochloride
CID 119381458

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride?
The IUPAC name of 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride (CID 119379855) is 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride?
The canonical SMILES for 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride is Cl.NC1CCCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride?
The InChIKey is HMRHNFLPFRPCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O.ClH/c16-13-7-6-11(9-14(13)17)3-1-5-15(20)19-8-2-4-12(18)10-19;/h6-7,9,12H,1-5,8,10,18H2;1H.
What are the key properties of 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride?
1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride has a molecular weight of 351.71 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopiperidin-1-yl)-4-(3,4-dichlorophenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 119379855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).