1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine

C13H17Cl2N — CID 82089462

IUPAC1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
SMILESClCC(c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C13H17Cl2N/c14-10-13(16-7-2-1-3-8-16)11-5-4-6-12(15)9-11/h4-6,9,13H,1-3,7-8,10H2
InChIKeyQSJHZWWSBOTQPX-UHFFFAOYSA-N
MW258.19 g/mol
LogP4.11
Rot. Bonds3

About 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine

1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine (PubChem CID 82089462) has the molecular formula C13H17Cl2N and a molecular weight of 258.19 g/mol. Its IUPAC name is 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
PubChem CID82089462
Molecular FormulaC13H17Cl2N
Molecular Weight258.19 g/mol
Exact Mass257.07
IUPAC Name1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine
SMILESClCC(c1cccc(Cl)c1)N1CCCCC1
InChIInChI=1S/C13H17Cl2N/c14-10-13(16-7-2-1-3-8-16)11-5-4-6-12(15)9-11/h4-6,9,13H,1-3,7-8,10H2
InChIKeyQSJHZWWSBOTQPX-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
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-[1-(3-bromophenyl)-2-chloroethyl]piperidine
CID 82094794
4-(3-chlorophenyl)-4-pyrrolidin-1-ylbutan-2-one
CID 82131677
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 110933948
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
3-(2-chloro-1-pyrrolidin-1-ylethyl)pyridine
CID 82078027
3-(3-chlorophenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 83924566
2-acetamido-N-[2-[[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]acetamide
CID 60563659
N-[2-(3-chlorophenyl)-2-morpholin-4-ylethyl]propan-2-amine
CID 58948569
2-(5-chloro-2-fluorophenyl)-2-piperidin-1-ylethanol
CID 116860133
(3R)-3-(3-chlorophenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189010
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
CID 112506810

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine?
The IUPAC name of 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine (CID 82089462) is 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine.
What is the SMILES notation for 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine?
The canonical SMILES for 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine is ClCC(c1cccc(Cl)c1)N1CCCCC1.
What is the InChIKey of 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine?
The InChIKey is QSJHZWWSBOTQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N/c14-10-13(16-7-2-1-3-8-16)11-5-4-6-12(15)9-11/h4-6,9,13H,1-3,7-8,10H2.
What are the key properties of 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine?
1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine has a molecular weight of 258.19 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-1-(3-chlorophenyl)ethyl]piperidine is sourced from PubChem (CID 82089462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).