[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride

C15H22ClF3N2 — CID 120834617

IUPAC[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(C(F)(F)F)ccc1CN1CCC(CN)CC1.Cl
InChIInChI=1S/C15H21F3N2.ClH/c1-11-8-14(15(16,17)18)3-2-13(11)10-20-6-4-12(9-19)5-7-20;/h2-3,8,12H,4-7,9-10,19H2,1H3;1H
InChIKeyLKGBIJWUZHKDLB-UHFFFAOYSA-N
MW322.80 g/mol
LogP3.61
Rot. Bonds3

About [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride

[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 120834617) has the molecular formula C15H22ClF3N2 and a molecular weight of 322.80 g/mol. Its IUPAC name is [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID120834617
Molecular FormulaC15H22ClF3N2
Molecular Weight322.80 g/mol
Exact Mass322.14
IUPAC Name[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride
SMILESCc1cc(C(F)(F)F)ccc1CN1CCC(CN)CC1.Cl
InChIInChI=1S/C15H21F3N2.ClH/c1-11-8-14(15(16,17)18)3-2-13(11)10-20-6-4-12(9-19)5-7-20;/h2-3,8,12H,4-7,9-10,19H2,1H3;1H
InChIKeyLKGBIJWUZHKDLB-UHFFFAOYSA-N
XLogP3.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;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

N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-3-amine
CID 120834769
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988
3-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 120842020
[1-[2-methyl-4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine;hydrochloride
CID 120999453
[5-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine
CID 120842986
4-fluoro-4-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine
CID 138699848
[3-methyl-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 120846932
1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834258
[4-methoxy-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine;hydrochloride
CID 120843729
N-(2-aminoethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 120837271

Frequently Asked Questions

What is the IUPAC name of [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride (CID 120834617) is [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride is Cc1cc(C(F)(F)F)ccc1CN1CCC(CN)CC1.Cl.
What is the InChIKey of [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is LKGBIJWUZHKDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2.ClH/c1-11-8-14(15(16,17)18)3-2-13(11)10-20-6-4-12(9-19)5-7-20;/h2-3,8,12H,4-7,9-10,19H2,1H3;1H.
What are the key properties of [1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride?
[1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 3.61, 3 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-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 120834617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).