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

C15H28FNO — CID 157039141

IUPAC1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol
SMILESCC(C)(F)C1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C15H28FNO/c1-15(2,16)13-5-3-12(4-6-13)11-17-9-7-14(18)8-10-17/h12-14,18H,3-11H2,1-2H3
InChIKeyIONSIMIANQKINC-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.00
Rot. Bonds3

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

1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol (PubChem CID 157039141) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol
PubChem CID157039141
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol
SMILESCC(C)(F)C1CCC(CN2CCC(O)CC2)CC1
InChIInChI=1S/C15H28FNO/c1-15(2,16)13-5-3-12(4-6-13)11-17-9-7-14(18)8-10-17/h12-14,18H,3-11H2,1-2H3
InChIKeyIONSIMIANQKINC-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol (CID 157039141) is 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol is CC(C)(F)C1CCC(CN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol?
The InChIKey is IONSIMIANQKINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-15(2,16)13-5-3-12(4-6-13)11-17-9-7-14(18)8-10-17/h12-14,18H,3-11H2,1-2H3.
What are the key properties of 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol?
1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol has a molecular weight of 257.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidin-4-ol is sourced from PubChem (CID 157039141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).