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

C14H21F3N4O — CID 56861481

IUPAC1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
SMILESOC1CCN(CCNc2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c15-14(16,17)5-1-11-2-6-18-13(20-11)19-7-10-21-8-3-12(22)4-9-21/h2,6,12,22H,1,3-5,7-10H2,(H,18,19,20)
InChIKeyUIGXBRSCNMRNAK-UHFFFAOYSA-N
MW318.34 g/mol
LogP1.84
Rot. Bonds6

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

1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol (PubChem CID 56861481) has the molecular formula C14H21F3N4O and a molecular weight of 318.34 g/mol. Its IUPAC name is 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
PubChem CID56861481
Molecular FormulaC14H21F3N4O
Molecular Weight318.34 g/mol
Exact Mass318.17
IUPAC Name1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol
SMILESOC1CCN(CCNc2nccc(CCC(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4O/c15-14(16,17)5-1-11-2-6-18-13(20-11)19-7-10-21-8-3-12(22)4-9-21/h2,6,12,22H,1,3-5,7-10H2,(H,18,19,20)
InChIKeyUIGXBRSCNMRNAK-UHFFFAOYSA-N
XLogP1.84
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol with MolForge

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Related Compounds

2-(Piperidin-4-yloxy)-4-(trifluoromethyl)pyrimidine
CID 23133612
1-{3-[(4-Cyclopentylpyrimidin-2-YL)amino]propyl}piperidin-4-OL
CID 56863924
N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870118
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
[1-({Methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)cyclopropyl]methanol
CID 56917961
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
6-Ethyl-N-{3-[(1-methylpiperidin-4-YL)oxy]propyl}pyrimidin-4-amine
CID 72927275
1-(4-(Trifluoromethyl)pyrimidin-2-yl)piperidin-4-ol
CID 2795837
2-[2-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]ethylamino]cyclohexan-1-ol
CID 2795939
1-[3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]phenyl]piperidin-4-ol
CID 53548744
N-{1-[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]piperidin-4-YL}pyrimidin-2-amine
CID 56861058
Ethyl 4-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}piperidine-1-carboxylate
CID 56861108

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol (CID 56861481) is 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol is OC1CCN(CCNc2nccc(CCC(F)(F)F)n2)CC1.
What is the InChIKey of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
The InChIKey is UIGXBRSCNMRNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O/c15-14(16,17)5-1-11-2-6-18-13(20-11)19-7-10-21-8-3-12(22)4-9-21/h2,6,12,22H,1,3-5,7-10H2,(H,18,19,20).
What are the key properties of 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol?
1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol has a molecular weight of 318.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]ethyl]piperidin-4-ol is sourced from PubChem (CID 56861481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).