1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride

C13H17Cl2F3N2 — CID 119034117

IUPAC1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16ClF3N2.ClH/c14-12-4-3-9(6-11(12)13(15,16)17)7-19-5-1-2-10(18)8-19;/h3-4,6,10H,1-2,5,7-8,18H2;1H
InChIKeyPIXXKNUEKQKEMN-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.70
Rot. Bonds2

About 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride

1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride (PubChem CID 119034117) has the molecular formula C13H17Cl2F3N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
PubChem CID119034117
Molecular FormulaC13H17Cl2F3N2
Molecular Weight329.19 g/mol
Exact Mass328.07
IUPAC Name1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16ClF3N2.ClH/c14-12-4-3-9(6-11(12)13(15,16)17)7-19-5-1-2-10(18)8-19;/h3-4,6,10H,1-2,5,7-8,18H2;1H
InChIKeyPIXXKNUEKQKEMN-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3-chloro-4-fluorophenyl)methyl]piperidin-3-amine
CID 24904788
(3R)-1-[(4-bromo-3-chlorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120846008
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 11382802
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
(3R)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 120967115
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]-4-[3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propyl]piperazine
CID 14097041
(3R)-1-[[4-(difluoromethoxy)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 167713987
(3R)-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 24904616
(3R)-1-[(4-phenylphenyl)methyl]piperidin-3-amine
CID 102977250
1-[(4-nitrophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910124
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949

Frequently Asked Questions

What is the IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride (CID 119034117) is 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride is Cl.NC1CCCN(Cc2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
The InChIKey is PIXXKNUEKQKEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2.ClH/c14-12-4-3-9(6-11(12)13(15,16)17)7-19-5-1-2-10(18)8-19;/h3-4,6,10H,1-2,5,7-8,18H2;1H.
What are the key properties of 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride has a molecular weight of 329.19 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119034117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).