4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol

C15H28FNO — CID 165491995

IUPAC4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1N1CCC(F)CC1
InChIInChI=1S/C15H28FNO/c1-15(2,3)13-5-4-12(18)10-14(13)17-8-6-11(16)7-9-17/h11-14,18H,4-10H2,1-3H3
InChIKeyYQCOTQONOWDLEB-UHFFFAOYSA-N
MW257.39 g/mol
LogP3.00
Rot. Bonds1

About 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol

4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol (PubChem CID 165491995) has the molecular formula C15H28FNO and a molecular weight of 257.39 g/mol. Its IUPAC name is 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol
PubChem CID165491995
Molecular FormulaC15H28FNO
Molecular Weight257.39 g/mol
Exact Mass257.22
IUPAC Name4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)CC1N1CCC(F)CC1
InChIInChI=1S/C15H28FNO/c1-15(2,3)13-5-4-12(18)10-14(13)17-8-6-11(16)7-9-17/h11-14,18H,4-10H2,1-3H3
InChIKeyYQCOTQONOWDLEB-UHFFFAOYSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-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 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol (CID 165491995) is 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)CC1N1CCC(F)CC1.
What is the InChIKey of 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is YQCOTQONOWDLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28FNO/c1-15(2,3)13-5-4-12(18)10-14(13)17-8-6-11(16)7-9-17/h11-14,18H,4-10H2,1-3H3.
What are the key properties of 4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol?
4-tert-butyl-3-(4-fluoropiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 257.39 g/mol, XLogP of 3.00, 1 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-fluoropiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 165491995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).