1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine

C14H18ClF2N — CID 82215703

IUPAC1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine
SMILESCC1CCCCN1CC(Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18ClF2N/c1-10-4-2-3-7-18(10)9-12(15)11-5-6-13(16)14(17)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyISZQVLODRUMEBB-UHFFFAOYSA-N
MW273.75 g/mol
LogP4.12
Rot. Bonds3

About 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine

1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine (PubChem CID 82215703) has the molecular formula C14H18ClF2N and a molecular weight of 273.75 g/mol. Its IUPAC name is 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine
PubChem CID82215703
Molecular FormulaC14H18ClF2N
Molecular Weight273.75 g/mol
Exact Mass273.11
IUPAC Name1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine
SMILESCC1CCCCN1CC(Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H18ClF2N/c1-10-4-2-3-7-18(10)9-12(15)11-5-6-13(16)14(17)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3
InChIKeyISZQVLODRUMEBB-UHFFFAOYSA-N
XLogP4.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.75
LogP ≤ 54.12
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-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-methylpiperidine
CID 82215293
1-[2-(4-tert-butylphenyl)-2-chloroethyl]-2-methylpiperidine
CID 82214703
1-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)ethanol
CID 82217054
(1R)-1-(3,4-difluorophenyl)-2-[(2S)-2-[(1S)-1-hydroxyethyl]piperidin-1-yl]ethanol
CID 95303642
2-(3,4-difluorophenyl)-2-[1-(2-methylpropyl)piperidin-2-yl]ethanamine
CID 83986706
(1S)-1-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]ethanol
CID 129392359
(1R)-1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanol
CID 95153941
2-(3,4-difluorophenyl)-2-(2-methylpyrrolidin-1-yl)ethanamine
CID 54881927
2-(3,4-difluorophenyl)-2-(1-propylpiperidin-2-yl)ethanamine
CID 83986705
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
1-(3,4-difluorophenyl)-2-(2-propan-2-ylpyrrolidin-1-yl)ethanamine
CID 107521582
1-(3,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217074

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine?
The IUPAC name of 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine (CID 82215703) is 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine.
What is the SMILES notation for 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine?
The canonical SMILES for 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine is CC1CCCCN1CC(Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine?
The InChIKey is ISZQVLODRUMEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2N/c1-10-4-2-3-7-18(10)9-12(15)11-5-6-13(16)14(17)8-11/h5-6,8,10,12H,2-4,7,9H2,1H3.
What are the key properties of 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine?
1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine has a molecular weight of 273.75 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(3,4-difluorophenyl)ethyl]-2-methylpiperidine is sourced from PubChem (CID 82215703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).