3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol

C13H24FNO — CID 165491489

IUPAC3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)CC1N1CCC(F)CC1
InChIInChI=1S/C13H24FNO/c1-13(2)6-3-11(16)9-12(13)15-7-4-10(14)5-8-15/h10-12,16H,3-9H2,1-2H3
InChIKeyULQSHSCBCONHJI-UHFFFAOYSA-N
MW229.34 g/mol
LogP2.36
Rot. Bonds1

About 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol

3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol (PubChem CID 165491489) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol
PubChem CID165491489
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC Name3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol
SMILESCC1(C)CCC(O)CC1N1CCC(F)CC1
InChIInChI=1S/C13H24FNO/c1-13(2)6-3-11(16)9-12(13)15-7-4-10(14)5-8-15/h10-12,16H,3-9H2,1-2H3
InChIKeyULQSHSCBCONHJI-UHFFFAOYSA-N
XLogP2.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Propan-2-yl-3-azaspiro[5.5]undecan-9-ol
CID 128570191
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-(4,4-Dimethylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490696
3-(4-Ethylpiperazin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490698
3-[Tert-butyl(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490700
3-[(2,2-Difluoroethyl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490701
3-(3,3-Difluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490703
3-(4-Fluoropiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490772

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol (CID 165491489) is 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol is CC1(C)CCC(O)CC1N1CCC(F)CC1.
What is the InChIKey of 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
The InChIKey is ULQSHSCBCONHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-13(2)6-3-11(16)9-12(13)15-7-4-10(14)5-8-15/h10-12,16H,3-9H2,1-2H3.
What are the key properties of 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol?
3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol has a molecular weight of 229.34 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoropiperidin-1-yl)-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165491489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).