3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

C14H25F2NO — CID 165490885

IUPAC3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-10(2)12-4-3-11(18)9-13(12)17-7-5-14(15,16)6-8-17/h10-13,18H,3-9H2,1-2H3
InChIKeyZXPDBGDDLHHBHD-UHFFFAOYSA-N
MW261.36 g/mol
LogP2.90
Rot. Bonds2

About 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol

3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490885) has the molecular formula C14H25F2NO and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490885
Molecular FormulaC14H25F2NO
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO/c1-10(2)12-4-3-11(18)9-13(12)17-7-5-14(15,16)6-8-17/h10-13,18H,3-9H2,1-2H3
InChIKeyZXPDBGDDLHHBHD-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Propan-2-yl-2-[3-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 65531753
4-Propan-2-yl-2-[4-(trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 65531952
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
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-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
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

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol (CID 165490885) is 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N1CCC(F)(F)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is ZXPDBGDDLHHBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO/c1-10(2)12-4-3-11(18)9-13(12)17-7-5-14(15,16)6-8-17/h10-13,18H,3-9H2,1-2H3.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol?
3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 261.36 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).