3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine

C14H18Cl2FN — CID 112654364

IUPAC3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(CN2CCCC(CCCl)C2)c1Cl
InChIInChI=1S/C14H18Cl2FN/c15-7-6-11-3-2-8-18(9-11)10-12-4-1-5-13(17)14(12)16/h1,4-5,11H,2-3,6-10H2
InChIKeySOUXQXJJKFYWIT-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.32
Rot. Bonds4

About 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine

3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine (PubChem CID 112654364) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
PubChem CID112654364
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine
SMILESFc1cccc(CN2CCCC(CCCl)C2)c1Cl
InChIInChI=1S/C14H18Cl2FN/c15-7-6-11-3-2-8-18(9-11)10-12-4-1-5-13(17)14(12)16/h1,4-5,11H,2-3,6-10H2
InChIKeySOUXQXJJKFYWIT-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.32
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-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
2-[[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813917
1-[(2-bromophenyl)methyl]-3-(2-chloroethyl)piperidine
CID 63388518
1-[(2-chloro-3-fluorophenyl)methyl]piperidine-3-carbothioamide
CID 112652292
2-[1-[(2,3-dichlorophenyl)methyl]piperidin-3-yl]ethanol
CID 113346057
1-[(2-chloro-3-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 112652863
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
3-[(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-yl]propanamide
CID 97157958
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
4-[(2-chloro-3-fluorophenyl)methyl]-2-(chloromethyl)morpholine
CID 112654434
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine?
The IUPAC name of 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine (CID 112654364) is 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine?
The canonical SMILES for 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine is Fc1cccc(CN2CCCC(CCCl)C2)c1Cl.
What is the InChIKey of 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine?
The InChIKey is SOUXQXJJKFYWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c15-7-6-11-3-2-8-18(9-11)10-12-4-1-5-13(17)14(12)16/h1,4-5,11H,2-3,6-10H2.
What are the key properties of 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine?
3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine has a molecular weight of 290.21 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-[(2-chloro-3-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 112654364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).