1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride

C13H18ClF3N2 — CID 119909959

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2.ClH/c14-13(15,16)12-6-2-1-4-10(12)8-18-7-3-5-11(17)9-18;/h1-2,4,6,11H,3,5,7-9,17H2;1H
InChIKeyVMNLSGYKIZPMHM-UHFFFAOYSA-N
MW294.75 g/mol
LogP3.05
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride

1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride (PubChem CID 119909959) has the molecular formula C13H18ClF3N2 and a molecular weight of 294.75 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
PubChem CID119909959
Molecular FormulaC13H18ClF3N2
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
SMILESCl.NC1CCCN(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C13H17F3N2.ClH/c14-13(15,16)12-6-2-1-4-10(12)8-18-7-3-5-11(17)9-18;/h1-2,4,6,11H,3,5,7-9,17H2;1H
InChIKeyVMNLSGYKIZPMHM-UHFFFAOYSA-N
XLogP3.05
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 18002013
(E)-but-2-enedioic acid;1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69068497
2-[[(3R)-3-aminopiperidin-1-yl]methyl]phenol
CID 24904442
1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carbaldehyde
CID 62654938
(3S)-1-[(2-bromophenyl)methyl]piperidin-3-amine
CID 24904438
N,N-dimethyl-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 90269557
1-[[4-chloro-3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119034117
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
(3R)-1-[(2-chlorothiophen-3-yl)methyl]piperidin-3-amine;hydrochloride
CID 120845906
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568
3-[[(3S)-3-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methyl]pyridin-2-amine
CID 95558692
(3S)-3-(1-methylimidazol-2-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine
CID 96575360

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride (CID 119909959) is 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride is Cl.NC1CCCN(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
The InChIKey is VMNLSGYKIZPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2.ClH/c14-13(15,16)12-6-2-1-4-10(12)8-18-7-3-5-11(17)9-18;/h1-2,4,6,11H,3,5,7-9,17H2;1H.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride?
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride is sourced from PubChem (CID 119909959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).