N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine

C15H20ClF3N2 — CID 43714560

IUPACN-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H20ClF3N2/c1-2-7-21-8-5-12(6-9-21)20-14-4-3-11(10-13(14)16)15(17,18)19/h3-4,10,12,20H,2,5-9H2,1H3
InChIKeyHWVOBIIHZKGNME-UHFFFAOYSA-N
MW320.79 g/mol
LogP4.65
Rot. Bonds4

About N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine (PubChem CID 43714560) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
PubChem CID43714560
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC NameN-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine
SMILESCCCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C15H20ClF3N2/c1-2-7-21-8-5-12(6-9-21)20-14-4-3-11(10-13(14)16)15(17,18)19/h3-4,10,12,20H,2,5-9H2,1H3
InChIKeyHWVOBIIHZKGNME-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 43714555
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-amine
CID 55139659
N-(4-chloro-2-fluorophenyl)-1-propylpiperidin-4-amine
CID 43716478
1-ethyl-N-[2-methyl-5-(trifluoromethyl)phenyl]piperidin-4-amine
CID 66480329
N-[2-chloro-4-(trifluoromethyl)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 65083806
N-(2,5-dichlorophenyl)-1-propylazepan-4-amine
CID 65072419
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylazepan-4-amine
CID 65070888
N-(3,5-dichloro-4-fluorophenyl)-1-propylpiperidin-4-amine
CID 107572762
2-chloro-N-(2-ethylcyclohexyl)-4-(trifluoromethyl)aniline
CID 63861238
5-chloro-2-[(1-propylpiperidin-4-yl)amino]benzonitrile
CID 62493841
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-4-amine
CID 55144195
1-propyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidin-4-amine
CID 43676666

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine?
The IUPAC name of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine (CID 43714560) is N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine.
What is the SMILES notation for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine?
The canonical SMILES for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine is CCCN1CCC(Nc2ccc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine?
The InChIKey is HWVOBIIHZKGNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClF3N2/c1-2-7-21-8-5-12(6-9-21)20-14-4-3-11(10-13(14)16)15(17,18)19/h3-4,10,12,20H,2,5-9H2,1H3.
What are the key properties of N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine?
N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine has a molecular weight of 320.79 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(trifluoromethyl)phenyl]-1-propylpiperidin-4-amine is sourced from PubChem (CID 43714560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).