N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine

C13H18ClFN2 — CID 114235555

IUPACN-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCCC1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClFN2/c1-13(2)8-16-4-3-12(13)17-11-6-9(14)5-10(15)7-11/h5-7,12,16-17H,3-4,8H2,1-2H3
InChIKeyQCWFBLUNYLYEDF-UHFFFAOYSA-N
MW256.75 g/mol
LogP3.28
Rot. Bonds2

About N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine

N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine (PubChem CID 114235555) has the molecular formula C13H18ClFN2 and a molecular weight of 256.75 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
PubChem CID114235555
Molecular FormulaC13H18ClFN2
Molecular Weight256.75 g/mol
Exact Mass256.11
IUPAC NameN-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine
SMILESCC1(C)CNCCC1Nc1cc(F)cc(Cl)c1
InChIInChI=1S/C13H18ClFN2/c1-13(2)8-16-4-3-12(13)17-11-6-9(14)5-10(15)7-11/h5-7,12,16-17H,3-4,8H2,1-2H3
InChIKeyQCWFBLUNYLYEDF-UHFFFAOYSA-N
XLogP3.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.75
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine (CID 114235555) is N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine is CC1(C)CNCCC1Nc1cc(F)cc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
The InChIKey is QCWFBLUNYLYEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClFN2/c1-13(2)8-16-4-3-12(13)17-11-6-9(14)5-10(15)7-11/h5-7,12,16-17H,3-4,8H2,1-2H3.
What are the key properties of N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine?
N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine has a molecular weight of 256.75 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluorophenyl)-3,3-dimethylpiperidin-4-amine is sourced from PubChem (CID 114235555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).