N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine

C14H20ClFN2 — CID 61210865

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10(13-6-5-11(16)8-14(13)15)17-12-4-3-7-18(2)9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyZCQFNRBOOSPHPN-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.22
Rot. Bonds3

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine (PubChem CID 61210865) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
PubChem CID61210865
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine
SMILESCC(NC1CCCN(C)C1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10(13-6-5-11(16)8-14(13)15)17-12-4-3-7-18(2)9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3
InChIKeyZCQFNRBOOSPHPN-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 81296909
N-[1-(2,5-difluorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 54949716
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43763532
2-chloro-4-fluoro-N-[1-(1-methylpiperidin-3-yl)ethyl]aniline
CID 43308733
4-methyl-2-[1-[(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 61210661
4-[[(1R)-1-(2-chloro-4-fluorophenyl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 122034889
1-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidin-3-amine
CID 61212533
N-(2-chloro-4-fluorophenyl)-1-methylazepan-4-amine
CID 65071350
N-[1-(2,4-dichlorophenyl)ethyl]cyclooctanamine
CID 43078996
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-methylpyrrolidin-3-amine
CID 81352092
N-[1-(2,4-difluorophenyl)ethyl]cyclooctanamine
CID 43080967
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-methylpiperidin-3-amine
CID 65197375

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine (CID 61210865) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine is CC(NC1CCCN(C)C1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
The InChIKey is ZCQFNRBOOSPHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10(13-6-5-11(16)8-14(13)15)17-12-4-3-7-18(2)9-12/h5-6,8,10,12,17H,3-4,7,9H2,1-2H3.
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine has a molecular weight of 270.78 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).