4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine

C14H19Cl2N — CID 106838072

IUPAC4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
SMILESCC(Cl)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-11(15)13-5-7-17(8-6-13)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10H2,1H3
InChIKeyFFLIJCJAPZARIY-UHFFFAOYSA-N
MW272.22 g/mol
LogP4.18
Rot. Bonds3

About 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine

4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine (PubChem CID 106838072) has the molecular formula C14H19Cl2N and a molecular weight of 272.22 g/mol. Its IUPAC name is 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
PubChem CID106838072
Molecular FormulaC14H19Cl2N
Molecular Weight272.22 g/mol
Exact Mass271.09
IUPAC Name4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
SMILESCC(Cl)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N/c1-11(15)13-5-7-17(8-6-13)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10H2,1H3
InChIKeyFFLIJCJAPZARIY-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
3-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropanoic acid
CID 83983457
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-[(3-chlorophenyl)methyl]-N-propylpiperidin-4-amine
CID 62538948
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]propanenitrile
CID 60646822
(3S)-1-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 28875744

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine?
The IUPAC name of 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine (CID 106838072) is 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine?
The canonical SMILES for 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine is CC(Cl)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine?
The InChIKey is FFLIJCJAPZARIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N/c1-11(15)13-5-7-17(8-6-13)10-12-3-2-4-14(16)9-12/h2-4,9,11,13H,5-8,10H2,1H3.
What are the key properties of 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine?
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine has a molecular weight of 272.22 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 106838072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).