4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

C13H18F3N3O2 — CID 56751540

IUPAC4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOCC1(O)CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)3-1-10-2-6-17-11(18-10)19-7-4-12(21,9-20)5-8-19/h2,6,20-21H,1,3-5,7-9H2
InChIKeyDZFPFCCCEZQZPO-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.30
Rot. Bonds4

About 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol

4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 56751540) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
PubChem CID56751540
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol
SMILESOCC1(O)CCN(c2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O2/c14-13(15,16)3-1-10-2-6-17-11(18-10)19-7-4-12(21,9-20)5-8-19/h2,6,20-21H,1,3-5,7-9H2
InChIKeyDZFPFCCCEZQZPO-UHFFFAOYSA-N
XLogP1.30
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-({Methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)cyclopropyl]methanol
CID 56917961
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
1-(4-Cyclopentylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 56752306
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
2-{1-Methyl-4-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperazin-2-YL}ethanol
CID 56865786
N-(1,4-dioxan-2-ylmethyl)-N-methyl-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56866479
(3S*,4S*)-4-isopropoxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidin-3-ol
CID 56868405
(3-Endo)-8-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 56869053
{3-Ethyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]piperidin-3-YL}methanol
CID 56871761
4-Hydroxy-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidine-4-carboxylic acid
CID 56872070
1-(4-Cyclobutyl-6-methylpyrimidin-2-yl)-4-(hydroxymethyl)piperidin-4-ol
CID 56878794
(3S*,4S*)-4-(4-morpholinyl)-1-[4-(3,3,3-trifluoropropyl)-2-pyrimidinyl]-3-pyrrolidinol
CID 56885891

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol (CID 56751540) is 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is OCC1(O)CCN(c2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is DZFPFCCCEZQZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c14-13(15,16)3-1-10-2-6-17-11(18-10)19-7-4-12(21,9-20)5-8-19/h2,6,20-21H,1,3-5,7-9H2.
What are the key properties of 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol?
4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 305.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 56751540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).