2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine

C14H18Cl2FN — CID 103049964

IUPAC2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Cl)cc1CN1CCCCC1CCCl
InChIInChI=1S/C14H18Cl2FN/c15-7-6-13-3-1-2-8-18(13)10-11-9-12(16)4-5-14(11)17/h4-5,9,13H,1-3,6-8,10H2
InChIKeySILHMFKODSLXQT-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.46
Rot. Bonds4

About 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine

2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine (PubChem CID 103049964) has the molecular formula C14H18Cl2FN and a molecular weight of 290.21 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
PubChem CID103049964
Molecular FormulaC14H18Cl2FN
Molecular Weight290.21 g/mol
Exact Mass289.08
IUPAC Name2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine
SMILESFc1ccc(Cl)cc1CN1CCCCC1CCCl
InChIInChI=1S/C14H18Cl2FN/c15-7-6-13-3-1-2-8-18(13)10-11-9-12(16)4-5-14(11)17/h4-5,9,13H,1-3,6-8,10H2
InChIKeySILHMFKODSLXQT-UHFFFAOYSA-N
XLogP4.46
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 ≤ 54.46
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-[(5-chloro-2-fluorophenyl)methyl]piperidin-2-yl]methanol
CID 103881513
1-[1-[(5-chloro-2-fluorophenyl)methyl]azepan-2-yl]propan-2-one
CID 103046626
2-[1-[(2-bromo-5-chlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 66155674
2-[1-[(5-chloro-2-fluorophenyl)methyl]pyrrolidin-2-yl]acetic acid
CID 114866950
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
[(2R)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
CID 86329631
1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
3-[1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]propanoic acid
CID 62215995
2-(chloromethyl)-1-[(2,5-dichlorophenyl)methyl]pyrrolidine
CID 65318647
2-(bromomethyl)-1-[(2,5-dichlorophenyl)methyl]azepane
CID 116638390
2-(2-chloroethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 63386952
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]-N-methylmethanamine
CID 65318364

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine (CID 103049964) is 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine is Fc1ccc(Cl)cc1CN1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
The InChIKey is SILHMFKODSLXQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2FN/c15-7-6-13-3-1-2-8-18(13)10-11-9-12(16)4-5-14(11)17/h4-5,9,13H,1-3,6-8,10H2.
What are the key properties of 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine?
2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine has a molecular weight of 290.21 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-[(5-chloro-2-fluorophenyl)methyl]piperidine is sourced from PubChem (CID 103049964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).