[3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol

C15H20F3N3O — CID 70721153

IUPAC[3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-4-6-19-13(20-12)21-7-1-5-14(9-21,10-22)8-11-2-3-11/h4,6,11,22H,1-3,5,7-10H2
InChIKeyXVAXNAUPTSBLTE-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.87
Rot. Bonds4

About [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol

[3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol (PubChem CID 70721153) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
PubChem CID70721153
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name[3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol
SMILESOCC1(CC2CC2)CCCN(c2nccc(C(F)(F)F)n2)C1
InChIInChI=1S/C15H20F3N3O/c16-15(17,18)12-4-6-19-13(20-12)21-7-1-5-14(9-21,10-22)8-11-2-3-11/h4,6,11,22H,1-3,5,7-10H2
InChIKeyXVAXNAUPTSBLTE-UHFFFAOYSA-N
XLogP2.87
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The IUPAC name of [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol (CID 70721153) is [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The canonical SMILES for [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol is OCC1(CC2CC2)CCCN(c2nccc(C(F)(F)F)n2)C1.
What is the InChIKey of [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
The InChIKey is XVAXNAUPTSBLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-15(17,18)12-4-6-19-13(20-12)21-7-1-5-14(9-21,10-22)8-11-2-3-11/h4,6,11,22H,1-3,5,7-10H2.
What are the key properties of [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol?
[3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol has a molecular weight of 315.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclopropylmethyl)-1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 70721153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).