[3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol

C14H21F3N4O — CID 137336505

IUPAC[3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCN(C)CC1(CO)CCCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C14H21F3N4O/c1-20(2)7-13(9-22)4-3-5-21(8-13)12-6-11(14(15,16)17)18-10-19-12/h6,10,22H,3-5,7-9H2,1-2H3
InChIKeyVEZWTLOLNDAQJD-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.64
Rot. Bonds4

About [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol

[3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 137336505) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID137336505
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name[3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCN(C)CC1(CO)CCCN(c2cc(C(F)(F)F)ncn2)C1
InChIInChI=1S/C14H21F3N4O/c1-20(2)7-13(9-22)4-3-5-21(8-13)12-6-11(14(15,16)17)18-10-19-12/h6,10,22H,3-5,7-9H2,1-2H3
InChIKeyVEZWTLOLNDAQJD-UHFFFAOYSA-N
XLogP1.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-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-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol (CID 137336505) is [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol is CN(C)CC1(CO)CCCN(c2cc(C(F)(F)F)ncn2)C1.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is VEZWTLOLNDAQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c1-20(2)7-13(9-22)4-3-5-21(8-13)12-6-11(14(15,16)17)18-10-19-12/h6,10,22H,3-5,7-9H2,1-2H3.
What are the key properties of [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol?
[3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 318.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 137336505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).