N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine

C15H22Cl2N2 — CID 60806819

IUPACN-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-9-19(13-5-7-18-8-6-13)11-12-3-4-14(16)15(17)10-12/h3-4,10,13,18H,2,5-9,11H2,1H3
InChIKeyGEDWGKNKXUDANC-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds5

About N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine

N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine (PubChem CID 60806819) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
PubChem CID60806819
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
SMILESCCCN(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H22Cl2N2/c1-2-9-19(13-5-7-18-8-6-13)11-12-3-4-14(16)15(17)10-12/h3-4,10,13,18H,2,5-9,11H2,1H3
InChIKeyGEDWGKNKXUDANC-UHFFFAOYSA-N
XLogP3.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine 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

N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 54923832
N-[(3-chloro-4-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 120835447
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-N-propylpiperidin-4-amine
CID 119932927
4-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carbonitrile
CID 63880798
N-[(2,3-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 58624352
N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 23137586
4-[[propyl(pyrrolidin-3-yl)amino]methyl]benzene-1,2-diol
CID 55204580
N-[(3,4-dibromophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 113499913
N-[(3-chloro-4-methylphenyl)methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844817
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine (CID 60806819) is N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine is CCCN(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine?
The InChIKey is GEDWGKNKXUDANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-9-19(13-5-7-18-8-6-13)11-12-3-4-14(16)15(17)10-12/h3-4,10,13,18H,2,5-9,11H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine has a molecular weight of 301.26 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine is sourced from PubChem (CID 60806819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).