(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol

C14H20F3NO — CID 167467873

IUPAC(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(\C=C)C1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3NO/c1-4-11(12(19)5-2)13(3)6-8-18(9-7-13)10-14(15,16)17/h4-5,19H,1-2,6-10H2,3H3/b12-11-
InChIKeyIQKBFSAGSLKEEJ-QXMHVHEDSA-N
MW275.31 g/mol
LogP3.83
Rot. Bonds4

About (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol

(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol (PubChem CID 167467873) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol.

Molecular Properties

Compound Name(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol
PubChem CID167467873
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC Name(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol
SMILESC=C/C(O)=C(\C=C)C1(C)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H20F3NO/c1-4-11(12(19)5-2)13(3)6-8-18(9-7-13)10-14(15,16)17/h4-5,19H,1-2,6-10H2,3H3/b12-11-
InChIKeyIQKBFSAGSLKEEJ-QXMHVHEDSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
(3E,5Z)-5-(1-methylpiperidin-4-yl)hepta-1,3,5-trien-3-ol
CID 144166252
(3Z,5Z)-3-(4-ethyl-1-methylpiperidin-4-yl)octa-1,3,5,7-tetraen-4-ol
CID 144515618

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol?
The IUPAC name of (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol (CID 167467873) is (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol.
What is the SMILES notation for (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol?
The canonical SMILES for (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol is C=C/C(O)=C(\C=C)C1(C)CCN(CC(F)(F)F)CC1.
What is the InChIKey of (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol?
The InChIKey is IQKBFSAGSLKEEJ-QXMHVHEDSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-4-11(12(19)5-2)13(3)6-8-18(9-7-13)10-14(15,16)17/h4-5,19H,1-2,6-10H2,3H3/b12-11-.
What are the key properties of (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol?
(3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol has a molecular weight of 275.31 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexa-1,3,5-trien-3-ol is sourced from PubChem (CID 167467873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).