1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride

C13H17Cl2F3N2 — CID 120834544

IUPAC1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16ClF3N2.ClH/c14-11-6-9(5-10(7-11)13(15,16)17)8-19-3-1-12(18)2-4-19;/h5-7,12H,1-4,8,18H2;1H
InChIKeyFBHQIFFSDQFXEF-UHFFFAOYSA-N
MW329.19 g/mol
LogP3.70
Rot. Bonds2

About 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride

1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 120834544) has the molecular formula C13H17Cl2F3N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride
PubChem CID120834544
Molecular FormulaC13H17Cl2F3N2
Molecular Weight329.19 g/mol
Exact Mass328.07
IUPAC Name1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride
SMILESCl.NC1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C13H16ClF3N2.ClH/c14-11-6-9(5-10(7-11)13(15,16)17)8-19-3-1-12(18)2-4-19;/h5-7,12H,1-4,8,18H2;1H
InChIKeyFBHQIFFSDQFXEF-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

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Related Compounds

1-[1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838209
3-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane;hydrochloride
CID 120842158
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99829139
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119905166
1-[[3,5-bis(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 87929151
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908041
(8aR)-7-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 99823948
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
(2R)-1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2-methylpiperazine;hydrochloride
CID 120839392
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999

Frequently Asked Questions

What is the IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride (CID 120834544) is 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride is Cl.NC1CCN(Cc2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is FBHQIFFSDQFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2.ClH/c14-11-6-9(5-10(7-11)13(15,16)17)8-19-3-1-12(18)2-4-19;/h5-7,12H,1-4,8,18H2;1H.
What are the key properties of 1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride?
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-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-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120834544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).