1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol

C13H22F3NO — CID 90420051

IUPAC1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
SMILESC=C(CC1(O)CCN(C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-10(13(14,15)16)9-12(18)5-7-17(8-6-12)11(2,3)4/h18H,1,5-9H2,2-4H3
InChIKeyMHOOSQFHNRDVJN-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds2

About 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol

1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol (PubChem CID 90420051) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
PubChem CID90420051
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
SMILESC=C(CC1(O)CCN(C(C)(C)C)CC1)C(F)(F)F
InChIInChI=1S/C13H22F3NO/c1-10(13(14,15)16)9-12(18)5-7-17(8-6-12)11(2,3)4/h18H,1,5-9H2,2-4H3
InChIKeyMHOOSQFHNRDVJN-UHFFFAOYSA-N
XLogP3.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
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

4-(4,4-Difluorobut-3-enyl)-1-methylpiperidin-4-ol
CID 146582324
1-Methyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol
CID 146582360
1-Methyl-4-(3,4,4-trifluorobut-3-enyl)piperidin-4-ol
CID 146582689
1-Hept-6-en-2-yl-4-(trifluoromethyl)piperidin-4-ol
CID 109967366
1-Ethyl-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 819660
1-Methyl-4-(2-methyl-2-propen-1-yl)-4-piperidinol
CID 5200278
1-(Hydroxymethyl)-4-(2-methylprop-2-enyl)piperidin-4-ol
CID 144155589
1,2-Dimethyl-4-prop-1-en-2-ylpiperidin-4-ol
CID 81610570
1,2-Dimethyl-4-prop-2-enylpiperidin-4-ol
CID 81610821

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
The IUPAC name of 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol (CID 90420051) is 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol is C=C(CC1(O)CCN(C(C)(C)C)CC1)C(F)(F)F.
What is the InChIKey of 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
The InChIKey is MHOOSQFHNRDVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-10(13(14,15)16)9-12(18)5-7-17(8-6-12)11(2,3)4/h18H,1,5-9H2,2-4H3.
What are the key properties of 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol?
1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol has a molecular weight of 265.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[2-(trifluoromethyl)prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 90420051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).