N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride

C15H20ClF3N4O — CID 44890802

IUPACN-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride
SMILESCl.FC(F)(F)c1ccc2c(NCC3CCNCC3)nccc2n1.O
InChIInChI=1S/C15H17F3N4.ClH.H2O/c16-15(17,18)13-2-1-11-12(22-13)5-8-20-14(11)21-9-10-3-6-19-7-4-10;;/h1-2,5,8,10,19H,3-4,6-7,9H2,(H,20,21);1H;1H2
InChIKeyRVAFFCBXKSLMDS-UHFFFAOYSA-N
MW364.80 g/mol
LogP2.66
Rot. Bonds3

About N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride

N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride (PubChem CID 44890802) has the molecular formula C15H20ClF3N4O and a molecular weight of 364.80 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride
PubChem CID44890802
Molecular FormulaC15H20ClF3N4O
Molecular Weight364.80 g/mol
Exact Mass364.13
IUPAC NameN-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride
SMILESCl.FC(F)(F)c1ccc2c(NCC3CCNCC3)nccc2n1.O
InChIInChI=1S/C15H17F3N4.ClH.H2O/c16-15(17,18)13-2-1-11-12(22-13)5-8-20-14(11)21-9-10-3-6-19-7-4-10;;/h1-2,5,8,10,19H,3-4,6-7,9H2,(H,20,21);1H;1H2
InChIKeyRVAFFCBXKSLMDS-UHFFFAOYSA-N
XLogP2.66
TPSA81.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride?
The IUPAC name of N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride (CID 44890802) is N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride?
The canonical SMILES for N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride is Cl.FC(F)(F)c1ccc2c(NCC3CCNCC3)nccc2n1.O.
What is the InChIKey of N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride?
The InChIKey is RVAFFCBXKSLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4.ClH.H2O/c16-15(17,18)13-2-1-11-12(22-13)5-8-20-14(11)21-9-10-3-6-19-7-4-10;;/h1-2,5,8,10,19H,3-4,6-7,9H2,(H,20,21);1H;1H2.
What are the key properties of N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride?
N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride has a molecular weight of 364.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-2-(trifluoromethyl)-1,6-naphthyridin-5-amine;hydrate;hydrochloride is sourced from PubChem (CID 44890802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).