1-benzyl-2-(2-chloroethyl)piperidine

C14H20ClN — CID 18473722

IUPAC1-benzyl-2-(2-chloroethyl)piperidine
SMILESClCCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C14H20ClN/c15-10-9-14-8-4-5-11-16(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2
InChIKeyDBAFFPICNKYNAC-UHFFFAOYSA-N
MW237.77 g/mol
LogP3.67
Rot. Bonds4

About 1-benzyl-2-(2-chloroethyl)piperidine

1-benzyl-2-(2-chloroethyl)piperidine (PubChem CID 18473722) has the molecular formula C14H20ClN and a molecular weight of 237.77 g/mol. Its IUPAC name is 1-benzyl-2-(2-chloroethyl)piperidine.

Molecular Properties

Compound Name1-benzyl-2-(2-chloroethyl)piperidine
PubChem CID18473722
Molecular FormulaC14H20ClN
Molecular Weight237.77 g/mol
Exact Mass237.13
IUPAC Name1-benzyl-2-(2-chloroethyl)piperidine
SMILESClCCC1CCCCN1Cc1ccccc1
InChIInChI=1S/C14H20ClN/c15-10-9-14-8-4-5-11-16(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2
InChIKeyDBAFFPICNKYNAC-UHFFFAOYSA-N
XLogP3.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.77
LogP ≤ 53.67
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

2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
1-benzyl-2-(3-iodopropyl)piperidine
CID 71648959
3-(1-benzylpiperidin-2-yl)propane-1-thiol
CID 71650266
(2R)-1-benzyl-2-(3-bromopropyl)piperidine
CID 97161904
3-[(2R)-1-benzylpiperidin-2-yl]propane-1-thiol
CID 97169944
3-(1-benzylazepan-2-yl)propan-1-amine
CID 83488248
(2R)-1-benzyl-2-(bromomethyl)piperidine;hydrochloride
CID 67264853
4-(1-benzylpiperidin-2-yl)butan-2-amine
CID 83982307
3-[(2R)-1-benzylpiperidin-2-yl]-N-methylpropan-1-amine
CID 97167936
4-(1-benzylpiperidin-2-yl)butan-2-ol
CID 83982325

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(2-chloroethyl)piperidine?
The IUPAC name of 1-benzyl-2-(2-chloroethyl)piperidine (CID 18473722) is 1-benzyl-2-(2-chloroethyl)piperidine.
What is the SMILES notation for 1-benzyl-2-(2-chloroethyl)piperidine?
The canonical SMILES for 1-benzyl-2-(2-chloroethyl)piperidine is ClCCC1CCCCN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-2-(2-chloroethyl)piperidine?
The InChIKey is DBAFFPICNKYNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN/c15-10-9-14-8-4-5-11-16(14)12-13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2.
What are the key properties of 1-benzyl-2-(2-chloroethyl)piperidine?
1-benzyl-2-(2-chloroethyl)piperidine has a molecular weight of 237.77 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(2-chloroethyl)piperidine is sourced from PubChem (CID 18473722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).