2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine

C13H17Cl2N — CID 63386616

IUPAC2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
SMILESClCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2N/c14-9-13-3-1-2-8-16(13)10-11-4-6-12(15)7-5-11/h4-7,13H,1-3,8-10H2
InChIKeyAVTKKGGKBDQHMS-UHFFFAOYSA-N
MW258.19 g/mol
LogP3.93
Rot. Bonds3

About 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine

2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine (PubChem CID 63386616) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
PubChem CID63386616
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine
SMILESClCC1CCCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C13H17Cl2N/c14-9-13-3-1-2-8-16(13)10-11-4-6-12(15)7-5-11/h4-7,13H,1-3,8-10H2
InChIKeyAVTKKGGKBDQHMS-UHFFFAOYSA-N
XLogP3.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.19
LogP ≤ 53.93
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-chloro-4-fluorophenyl)methyl]-2-(chloromethyl)piperidine
CID 103041314
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
1-[(4-bromophenyl)methyl]-2-(chloromethyl)piperidine
CID 63386874
2-(chloromethyl)-1-[(4-propan-2-ylphenyl)methyl]piperidine
CID 55182780
4-[[2-(chloromethyl)piperidin-1-yl]methyl]pyridine
CID 63386661
1-[(3-bromo-4-fluorophenyl)methyl]-2-(chloromethyl)azepane
CID 116638678
2-(chloromethyl)-1-[(4-iodophenyl)methyl]pyrrolidine
CID 65489547
1-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]-3-methylbutan-2-amine
CID 83982520
2-[1-[(4-chlorophenyl)methyl]piperidin-2-yl]acetic acid
CID 54899444
2-(bromomethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 80676168
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601
N-[[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63527672

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine?
The IUPAC name of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine (CID 63386616) is 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine?
The canonical SMILES for 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine is ClCC1CCCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine?
The InChIKey is AVTKKGGKBDQHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-9-13-3-1-2-8-16(13)10-11-4-6-12(15)7-5-11/h4-7,13H,1-3,8-10H2.
What are the key properties of 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine?
2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine has a molecular weight of 258.19 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(4-chlorophenyl)methyl]piperidine is sourced from PubChem (CID 63386616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).