N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride

C24H28ClF3N4O — CID 24735422

IUPACN-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride
SMILESCOc1ccccc1CN(C)CC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1.Cl
InChIInChI=1S/C24H27F3N4O.ClH/c1-30(16-18-5-3-4-6-21(18)32-2)15-17-10-13-31(14-11-17)23-19-7-8-22(24(25,26)27)29-20(19)9-12-28-23;/h3-9,12,17H,10-11,13-16H2,1-2H3;1H
InChIKeyCJCXMLFOFHWCLE-UHFFFAOYSA-N
MW480.96 g/mol
LogP5.43
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride

N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride (PubChem CID 24735422) has the molecular formula C24H28ClF3N4O and a molecular weight of 480.96 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride
PubChem CID24735422
Molecular FormulaC24H28ClF3N4O
Molecular Weight480.96 g/mol
Exact Mass480.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride
SMILESCOc1ccccc1CN(C)CC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1.Cl
InChIInChI=1S/C24H27F3N4O.ClH/c1-30(16-18-5-3-4-6-21(18)32-2)15-17-10-13-31(14-11-17)23-19-7-8-22(24(25,26)27)29-20(19)9-12-28-23;/h3-9,12,17H,10-11,13-16H2,1-2H3;1H
InChIKeyCJCXMLFOFHWCLE-UHFFFAOYSA-N
XLogP5.43
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.96
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine
CID 24735477
1-[cyclopropylmethyl-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]amino]-3-phenoxypropan-2-ol;hydrochloride
CID 24735520
1-ethyl-3-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]urea
CID 24735472
N-(cyclopropylmethyl)-N-[[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methyl]thiophene-2-carboxamide;hydrochloride
CID 24735526
5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)-2-(trifluoromethyl)-1,6-naphthyridine
CID 24735017
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
N-[(2-methoxyphenyl)methyl]-N-(trifluoromethyl)cyclopropanamine
CID 71648276
N-methyl-N-[[1-(1,6-naphthyridin-5-yl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 146142054
1-[1-[2-(2-methoxyphenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]methanamine
CID 56701591
N-[1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)pyrimidin-2-amine
CID 172892045
1-(2-methoxypyrimidin-4-yl)-N-methyl-N-(naphthalen-1-ylmethyl)piperidin-4-amine
CID 118190332
1-[(3S)-1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 129400764

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride (CID 24735422) is N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride is COc1ccccc1CN(C)CC1CCN(c2nccc3nc(C(F)(F)F)ccc23)CC1.Cl.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride?
The InChIKey is CJCXMLFOFHWCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O.ClH/c1-30(16-18-5-3-4-6-21(18)32-2)15-17-10-13-31(14-11-17)23-19-7-8-22(24(25,26)27)29-20(19)9-12-28-23;/h3-9,12,17H,10-11,13-16H2,1-2H3;1H.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride?
N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride has a molecular weight of 480.96 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-methyl-1-[1-[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]piperidin-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 24735422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).