1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

C16H20F3NO — CID 168912860

IUPAC1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESC=CCN1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-2-8-20-9-6-15(21,7-10-20)12-13-4-3-5-14(11-13)16(17,18)19/h2-5,11,21H,1,6-10,12H2
InChIKeyYPPJZQHTYWCVLN-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.26
Rot. Bonds4

About 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol

1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (PubChem CID 168912860) has the molecular formula C16H20F3NO and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
PubChem CID168912860
Molecular FormulaC16H20F3NO
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
SMILESC=CCN1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO/c1-2-8-20-9-6-15(21,7-10-20)12-13-4-3-5-14(11-13)16(17,18)19/h2-5,11,21H,1,6-10,12H2
InChIKeyYPPJZQHTYWCVLN-UHFFFAOYSA-N
XLogP3.26
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[[3-(2-fluoropropan-2-yl)phenyl]methyl]cyclopropan-1-ol
CID 117297832
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
CID 103728549
3-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-ol
CID 65154101
1-[[1-(chloromethyl)cyclopentyl]methyl]-3-(trifluoromethyl)benzene
CID 66034453
3-methoxy-1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-ol
CID 106874015
1-[[3-(trifluoromethyl)phenyl]methyl]cycloheptan-1-amine
CID 62621040
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005
3-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 63147825
ethyl 1-prop-2-enylsulfonyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylate
CID 25452008
1-ethyl-4-[3-(trifluoromethyl)phenyl]piperidin-4-ol
CID 55116078
1-[[3-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 23027904
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]piperidine
CID 115058938

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol (CID 168912860) is 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is C=CCN1CCC(O)(Cc2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
The InChIKey is YPPJZQHTYWCVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO/c1-2-8-20-9-6-15(21,7-10-20)12-13-4-3-5-14(11-13)16(17,18)19/h2-5,11,21H,1,6-10,12H2.
What are the key properties of 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol?
1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol has a molecular weight of 299.34 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-4-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 168912860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).