1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

C18H21F3N4O — CID 56701286

IUPAC1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1nc(CN)cc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H21F3N4O/c1-12-23-15(11-22)10-16(24-12)25-7-5-17(26,6-8-25)13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,26H,5-8,11,22H2,1H3
InChIKeyRWKZSHSPDFWEIR-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.75
Rot. Bonds3

About 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol

1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (PubChem CID 56701286) has the molecular formula C18H21F3N4O and a molecular weight of 366.39 g/mol. Its IUPAC name is 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
PubChem CID56701286
Molecular FormulaC18H21F3N4O
Molecular Weight366.39 g/mol
Exact Mass366.17
IUPAC Name1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
SMILESCc1nc(CN)cc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1
InChIInChI=1S/C18H21F3N4O/c1-12-23-15(11-22)10-16(24-12)25-7-5-17(26,6-8-25)13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,26H,5-8,11,22H2,1H3
InChIKeyRWKZSHSPDFWEIR-UHFFFAOYSA-N
XLogP2.75
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The IUPAC name of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol (CID 56701286) is 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The canonical SMILES for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is Cc1nc(CN)cc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1.
What is the InChIKey of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
The InChIKey is RWKZSHSPDFWEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O/c1-12-23-15(11-22)10-16(24-12)25-7-5-17(26,6-8-25)13-3-2-4-14(9-13)18(19,20)21/h2-4,9-10,26H,5-8,11,22H2,1H3.
What are the key properties of 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol?
1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol has a molecular weight of 366.39 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(aminomethyl)-2-methylpyrimidin-4-yl]-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol is sourced from PubChem (CID 56701286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).