1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine

C12H16ClFN2 — CID 107366614

IUPAC1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2/c1-15-11-2-4-16(5-3-11)12-7-9(13)6-10(14)8-12/h6-8,11,15H,2-5H2,1H3
InChIKeyADZAHDUSDCDCLP-UHFFFAOYSA-N
MW242.72 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine

1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine (PubChem CID 107366614) has the molecular formula C12H16ClFN2 and a molecular weight of 242.72 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
PubChem CID107366614
Molecular FormulaC12H16ClFN2
Molecular Weight242.72 g/mol
Exact Mass242.10
IUPAC Name1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine
SMILESCNC1CCN(c2cc(F)cc(Cl)c2)CC1
InChIInChI=1S/C12H16ClFN2/c1-15-11-2-4-16(5-3-11)12-7-9(13)6-10(14)8-12/h6-8,11,15H,2-5H2,1H3
InChIKeyADZAHDUSDCDCLP-UHFFFAOYSA-N
XLogP2.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoro-5-methoxyphenyl)-N-methylpiperidin-4-amine
CID 114263163
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
8-(3-chloro-5-fluorophenyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107370685
1-(3-chloro-5-fluorophenyl)-N-propan-2-ylpiperidin-3-amine
CID 107370782
1-(3,5-difluorophenyl)-N-ethylpiperidin-4-amine
CID 43315453
N-methyl-1-(2,3,5-trifluorophenyl)piperidin-4-amine
CID 55119359
1-(3,5-dichlorophenyl)-4-methylpiperidine
CID 157277314
tert-butyl 4-[1-(3-chloro-5-fluorophenyl)piperidin-4-yl]piperidine-1-carboxylate
CID 24959231
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylpiperidin-4-amine
CID 61228821
1-[3-fluoro-5-(methylaminomethyl)phenyl]-N,N-dimethylpiperidin-4-amine
CID 106530805
N-methyl-1-(5-methyl-3-pyridinyl)piperidin-4-amine
CID 107585701
1-[3-fluoro-5-(methylaminomethyl)phenyl]piperidine-4-carboxamide
CID 106530749

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine (CID 107366614) is 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine is CNC1CCN(c2cc(F)cc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine?
The InChIKey is ADZAHDUSDCDCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2/c1-15-11-2-4-16(5-3-11)12-7-9(13)6-10(14)8-12/h6-8,11,15H,2-5H2,1H3.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine?
1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine has a molecular weight of 242.72 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-N-methylpiperidin-4-amine is sourced from PubChem (CID 107366614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).