N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

C16H24Cl2N2 — CID 106640868

IUPACN-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(Cl)ccc1Cl)CC1CCCNC1
InChIInChI=1S/C16H24Cl2N2/c1-2-8-20(11-13-4-3-7-19-10-13)12-14-9-15(17)5-6-16(14)18/h5-6,9,13,19H,2-4,7-8,10-12H2,1H3
InChIKeyUYGYUQGRDQAIFV-UHFFFAOYSA-N
MW315.29 g/mol
LogP4.20
Rot. Bonds6

About N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine

N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (PubChem CID 106640868) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
PubChem CID106640868
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
SMILESCCCN(Cc1cc(Cl)ccc1Cl)CC1CCCNC1
InChIInChI=1S/C16H24Cl2N2/c1-2-8-20(11-13-4-3-7-19-10-13)12-14-9-15(17)5-6-16(14)18/h5-6,9,13,19H,2-4,7-8,10-12H2,1H3
InChIKeyUYGYUQGRDQAIFV-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-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

4-chloro-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625458
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106639291
N-[(5-chloro-2-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624365
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
CID 65316896
N-[(4-fluoro-2-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625464
4-bromo-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 107739212
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625448
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
4-methoxy-2-[[piperidin-3-ylmethyl(propyl)amino]methyl]phenol
CID 106625159
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717298
5-chloro-2-[piperidin-3-ylmethyl(propyl)amino]benzonitrile
CID 106644235

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine (CID 106640868) is N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is CCCN(Cc1cc(Cl)ccc1Cl)CC1CCCNC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
The InChIKey is UYGYUQGRDQAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-2-8-20(11-13-4-3-7-19-10-13)12-14-9-15(17)5-6-16(14)18/h5-6,9,13,19H,2-4,7-8,10-12H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine?
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine has a molecular weight of 315.29 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 106640868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).