1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol

C17H32FNO — CID 155302702

IUPAC1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol
SMILESCC(C)(C)C1CCC(CN2CCC(O)CC2CF)CC1
InChIInChI=1S/C17H32FNO/c1-17(2,3)14-6-4-13(5-7-14)12-19-9-8-16(20)10-15(19)11-18/h13-16,20H,4-12H2,1-3H3
InChIKeyAXICIEKVOSBOJA-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.63
Rot. Bonds3

About 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol

1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol (PubChem CID 155302702) has the molecular formula C17H32FNO and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol
PubChem CID155302702
Molecular FormulaC17H32FNO
Molecular Weight285.45 g/mol
Exact Mass285.25
IUPAC Name1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol
SMILESCC(C)(C)C1CCC(CN2CCC(O)CC2CF)CC1
InChIInChI=1S/C17H32FNO/c1-17(2,3)14-6-4-13(5-7-14)12-19-9-8-16(20)10-15(19)11-18/h13-16,20H,4-12H2,1-3H3
InChIKeyAXICIEKVOSBOJA-UHFFFAOYSA-N
XLogP3.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol?
The IUPAC name of 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol (CID 155302702) is 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol.
What is the SMILES notation for 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol?
The canonical SMILES for 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol is CC(C)(C)C1CCC(CN2CCC(O)CC2CF)CC1.
What is the InChIKey of 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol?
The InChIKey is AXICIEKVOSBOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FNO/c1-17(2,3)14-6-4-13(5-7-14)12-19-9-8-16(20)10-15(19)11-18/h13-16,20H,4-12H2,1-3H3.
What are the key properties of 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol?
1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol has a molecular weight of 285.45 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylcyclohexyl)methyl]-2-(fluoromethyl)piperidin-4-ol is sourced from PubChem (CID 155302702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).