1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine

C14H19F3N2 — CID 120834769

IUPAC1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESCc1cc(C(F)(F)F)ccc1CN1CCCC(N)C1
InChIInChI=1S/C14H19F3N2/c1-10-7-12(14(15,16)17)5-4-11(10)8-19-6-2-3-13(18)9-19/h4-5,7,13H,2-3,6,8-9,18H2,1H3
InChIKeyMTIHHIOESSRBQJ-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.94
Rot. Bonds2

About 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine

1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (PubChem CID 120834769) has the molecular formula C14H19F3N2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
PubChem CID120834769
Molecular FormulaC14H19F3N2
Molecular Weight272.31 g/mol
Exact Mass272.15
IUPAC Name1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
SMILESCc1cc(C(F)(F)F)ccc1CN1CCCC(N)C1
InChIInChI=1S/C14H19F3N2/c1-10-7-12(14(15,16)17)5-4-11(10)8-19-6-2-3-13(18)9-19/h4-5,7,13H,2-3,6,8-9,18H2,1H3
InChIKeyMTIHHIOESSRBQJ-UHFFFAOYSA-N
XLogP2.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120834617
(3R)-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 24904810
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 120837271
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020
(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 24904821
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-3-amine;hydrochloride
CID 119909959
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490
1-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-3-(4-methylphenyl)piperidine
CID 167080866
2-[(3-aminopiperidin-1-yl)methyl]-4-methylphenol
CID 63325178
1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]piperidin-3-amine;dihydrochloride
CID 154906188

Frequently Asked Questions

What is the IUPAC name of 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The IUPAC name of 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine (CID 120834769) is 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine.
What is the SMILES notation for 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The canonical SMILES for 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is Cc1cc(C(F)(F)F)ccc1CN1CCCC(N)C1.
What is the InChIKey of 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
The InChIKey is MTIHHIOESSRBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2/c1-10-7-12(14(15,16)17)5-4-11(10)8-19-6-2-3-13(18)9-19/h4-5,7,13H,2-3,6,8-9,18H2,1H3.
What are the key properties of 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine?
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine has a molecular weight of 272.31 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine is sourced from PubChem (CID 120834769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).