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

C14H20Cl2N2 — CID 54923832

IUPACN-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H20Cl2N2/c1-2-18(12-5-7-17-8-6-12)10-11-3-4-13(15)14(16)9-11/h3-4,9,12,17H,2,5-8,10H2,1H3
InChIKeyYXRUKLZHZCVDBM-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.57
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine (PubChem CID 54923832) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
PubChem CID54923832
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine
SMILESCCN(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1
InChIInChI=1S/C14H20Cl2N2/c1-2-18(12-5-7-17-8-6-12)10-11-3-4-13(15)14(16)9-11/h3-4,9,12,17H,2,5-8,10H2,1H3
InChIKeyYXRUKLZHZCVDBM-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 60806819
N-(cyclopropylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624329
N-[(3-chloro-4-methylphenyl)methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844817
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-[(3-chloro-4-nitrophenyl)methyl]-N-ethylazepan-4-amine;hydrochloride
CID 120844783
N-[(3,4-dichlorophenyl)methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 23137586
N-[(3-chloro-4-nitrophenyl)methyl]-N-propylpiperidin-4-amine
CID 120835447
4-[[(4-aminocyclohexyl)-ethylamino]methyl]-2-chlorophenol
CID 79115137
N-ethyl-N-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-amine
CID 55244427
N-[(2-chloro-6-fluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 60806803
N-[(3,4-dichlorophenyl)methyl]-N-ethylpyrrolidine-3-carboxamide
CID 119743617
N-[(2-chloro-4-pyridinyl)methyl]-N-ethylcyclopropanamine
CID 62301725

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine (CID 54923832) is N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine is CCN(Cc1ccc(Cl)c(Cl)c1)C1CCNCC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine?
The InChIKey is YXRUKLZHZCVDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-2-18(12-5-7-17-8-6-12)10-11-3-4-13(15)14(16)9-11/h3-4,9,12,17H,2,5-8,10H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine?
N-[(3,4-dichlorophenyl)methyl]-N-ethylpiperidin-4-amine has a molecular weight of 287.23 g/mol, XLogP of 3.57, 4 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-ethylpiperidin-4-amine is sourced from PubChem (CID 54923832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).