1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol

C13H24F3NO — CID 129167207

IUPAC1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCCCC(C)(CC)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-4-6-11(3,5-2)17-9-7-12(18,8-10-17)13(14,15)16/h18H,4-10H2,1-3H3
InChIKeySRZQHOIVWNWHLV-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.34
Rot. Bonds4

About 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol

1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol (PubChem CID 129167207) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol
PubChem CID129167207
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol
SMILESCCCC(C)(CC)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-4-6-11(3,5-2)17-9-7-12(18,8-10-17)13(14,15)16/h18H,4-10H2,1-3H3
InChIKeySRZQHOIVWNWHLV-UHFFFAOYSA-N
XLogP3.34
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol?
The IUPAC name of 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol (CID 129167207) is 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol is CCCC(C)(CC)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol?
The InChIKey is SRZQHOIVWNWHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-4-6-11(3,5-2)17-9-7-12(18,8-10-17)13(14,15)16/h18H,4-10H2,1-3H3.
What are the key properties of 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol?
1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol has a molecular weight of 267.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylhexan-3-yl)-4-(trifluoromethyl)piperidin-4-ol is sourced from PubChem (CID 129167207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).