N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine

C15H22Cl2N2 — CID 65316896

IUPACN-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(Cl)ccc1Cl)C1CCCNC1
InChIInChI=1S/C15H22Cl2N2/c1-2-8-19(14-4-3-7-18-10-14)11-12-9-13(16)5-6-15(12)17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyYJCICXLSXCNRSW-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.96
Rot. Bonds5

About N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine

N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine (PubChem CID 65316896) has the molecular formula C15H22Cl2N2 and a molecular weight of 301.26 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
PubChem CID65316896
Molecular FormulaC15H22Cl2N2
Molecular Weight301.26 g/mol
Exact Mass300.12
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine
SMILESCCCN(Cc1cc(Cl)ccc1Cl)C1CCCNC1
InChIInChI=1S/C15H22Cl2N2/c1-2-8-19(14-4-3-7-18-10-14)11-12-9-13(16)5-6-15(12)17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3
InChIKeyYJCICXLSXCNRSW-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

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Related Compounds

N-[(2-chloro-4-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63637857
3-chloro-4-[[piperidin-3-yl(propyl)amino]methyl]benzonitrile
CID 102669224
N-[(4-chloro-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 114851223
N-[(2,5-dichlorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106640868
N-[(2-cyclopropylphenyl)methyl]-N-propylpiperidin-3-amine
CID 79983628
N-[(2-bromo-5-fluorophenyl)methyl]-N-propylpiperidin-3-amine
CID 63636123
N-[(5-chloro-2-nitrophenyl)methyl]-N-ethylpiperidin-3-amine
CID 79580147
N-[(2,5-dichlorophenyl)methyl]-N-methylazepan-4-amine
CID 103519944
N-[1-(2,5-dichlorophenyl)ethyl]-N-propylpiperidin-3-amine
CID 63636723
N-[(3,5-dimethylphenyl)methyl]-N-propylpiperidin-3-amine
CID 63637242
methyl 4-chloro-3-[[propyl(pyrrolidin-3-yl)amino]methyl]benzoate
CID 120838250
N-[(6-chloro-2-pyridinyl)methyl]-N-propylpiperidin-3-amine
CID 79240498

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine (CID 65316896) is N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine is CCCN(Cc1cc(Cl)ccc1Cl)C1CCCNC1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine?
The InChIKey is YJCICXLSXCNRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2/c1-2-8-19(14-4-3-7-18-10-14)11-12-9-13(16)5-6-15(12)17/h5-6,9,14,18H,2-4,7-8,10-11H2,1H3.
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine?
N-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-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-[(2,5-dichlorophenyl)methyl]-N-propylpiperidin-3-amine is sourced from PubChem (CID 65316896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).