1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol

C16H30FNO2 — CID 157039451

IUPAC1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESCC(C)(F)C1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C16H30FNO2/c1-16(2,17)13-5-3-12(4-6-13)10-18-8-7-15(20)9-14(18)11-19/h12-15,19-20H,3-11H2,1-2H3
InChIKeyCJWPLFXOTZYMHH-UHFFFAOYSA-N
MW287.42 g/mol
LogP2.36
Rot. Bonds4

About 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol

1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 157039451) has the molecular formula C16H30FNO2 and a molecular weight of 287.42 g/mol. Its IUPAC name is 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol
PubChem CID157039451
Molecular FormulaC16H30FNO2
Molecular Weight287.42 g/mol
Exact Mass287.23
IUPAC Name1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol
SMILESCC(C)(F)C1CCC(CN2CCC(O)CC2CO)CC1
InChIInChI=1S/C16H30FNO2/c1-16(2,17)13-5-3-12(4-6-13)10-18-8-7-15(20)9-14(18)11-19/h12-15,19-20H,3-11H2,1-2H3
InChIKeyCJWPLFXOTZYMHH-UHFFFAOYSA-N
XLogP2.36
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol (CID 157039451) is 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol is CC(C)(F)C1CCC(CN2CCC(O)CC2CO)CC1.
What is the InChIKey of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is CJWPLFXOTZYMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30FNO2/c1-16(2,17)13-5-3-12(4-6-13)10-18-8-7-15(20)9-14(18)11-19/h12-15,19-20H,3-11H2,1-2H3.
What are the key properties of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol?
1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 287.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 157039451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).