1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol

C9H14F3NO — CID 130564639

IUPAC1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-6(9(10,11)12)8(14)7-2-4-13-5-3-7/h7-8,13-14H,1-5H2
InChIKeyZMACAGNLDPYNHT-UHFFFAOYSA-N
MW209.21 g/mol
LogP1.47
Rot. Bonds2

About 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol

1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 130564639) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID130564639
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CCNCC1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-6(9(10,11)12)8(14)7-2-4-13-5-3-7/h7-8,13-14H,1-5H2
InChIKeyZMACAGNLDPYNHT-UHFFFAOYSA-N
XLogP1.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(2S)-pyrrolidin-2-yl]-2-(trifluoromethyl)prop-2-en-1-ol
CID 164654131
2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 66728457
(1S)-2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 70086662
2-hydroxy-2-piperidin-4-ylacetic acid
CID 50990582
3,3,3-trifluoro-1-piperidin-4-ylpropan-1-ol
CID 83686081
cyclopentyl(piperidin-4-yl)methanol
CID 54333800
3-piperidin-4-ylbutan-2-ol
CID 154192279
2-cyclopropyl-1-piperidin-4-ylethanol
CID 67828644
4-[(1R)-1-fluoroethyl]piperidine
CID 124547551
3-(6,6,6-trifluorohexan-2-yl)pyrrolidine
CID 116536150
(4-methylcyclohexyl)-piperidin-4-ylmethanol
CID 80560052
2-piperidin-4-ylpropane-1,3-diol
CID 67197232

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol (CID 130564639) is 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)C1CCNCC1)C(F)(F)F.
What is the InChIKey of 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is ZMACAGNLDPYNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6(9(10,11)12)8(14)7-2-4-13-5-3-7/h7-8,13-14H,1-5H2.
What are the key properties of 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol?
1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 209.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 130564639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).