4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol

C16H30FNO — CID 165497355

IUPAC4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1N1CCC(CF)CC1
InChIInChI=1S/C16H30FNO/c1-16(2,3)14-5-4-13(19)10-15(14)18-8-6-12(11-17)7-9-18/h12-15,19H,4-11H2,1-3H3
InChIKeyLSYLXFWBXZRNRK-UHFFFAOYSA-N
MW271.42 g/mol
LogP3.24
Rot. Bonds2

About 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol

4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol (PubChem CID 165497355) has the molecular formula C16H30FNO and a molecular weight of 271.42 g/mol. Its IUPAC name is 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol
PubChem CID165497355
Molecular FormulaC16H30FNO
Molecular Weight271.42 g/mol
Exact Mass271.23
IUPAC Name4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1N1CCC(CF)CC1
InChIInChI=1S/C16H30FNO/c1-16(2,3)14-5-4-13(19)10-15(14)18-8-6-12(11-17)7-9-18/h12-15,19H,4-11H2,1-3H3
InChIKeyLSYLXFWBXZRNRK-UHFFFAOYSA-N
XLogP3.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol (CID 165497355) is 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol is CC(C)(C)C1CCC(O)CC1N1CCC(CF)CC1.
What is the InChIKey of 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is LSYLXFWBXZRNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO/c1-16(2,3)14-5-4-13(19)10-15(14)18-8-6-12(11-17)7-9-18/h12-15,19H,4-11H2,1-3H3.
What are the key properties of 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol?
4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 271.42 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-[4-(fluoromethyl)piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 165497355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).