(2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one

C34H56FNO2 — CID 143525057

IUPAC(2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one
SMILESCC(C)[C@@H](CCCC(O)C1=C(C2C=CCCC2)CCCC1)C(=O)N1CCC(C2CCC(F)CC2)C(C)(C)C1
InChIInChI=1S/C34H56FNO2/c1-24(2)28(15-10-16-32(37)30-14-9-8-13-29(30)25-11-6-5-7-12-25)33(38)36-22-21-31(34(3,4)23-36)26-17-19-27(35)20-18-26/h6,11,24-28,31-32,37H,5,7-10,12-23H2,1-4H3/t25?,26?,27?,28-,31?,32?/m1/s1
InChIKeyHSSBSIRDMDVJRM-FUMHCLIZSA-N
MW529.83 g/mol
LogP8.42
Rot. Bonds9

About (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one

(2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one (PubChem CID 143525057) has the molecular formula C34H56FNO2 and a molecular weight of 529.83 g/mol. Its IUPAC name is (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one.

Molecular Properties

Compound Name(2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one
PubChem CID143525057
Molecular FormulaC34H56FNO2
Molecular Weight529.83 g/mol
Exact Mass529.43
IUPAC Name(2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one
SMILESCC(C)[C@@H](CCCC(O)C1=C(C2C=CCCC2)CCCC1)C(=O)N1CCC(C2CCC(F)CC2)C(C)(C)C1
InChIInChI=1S/C34H56FNO2/c1-24(2)28(15-10-16-32(37)30-14-9-8-13-29(30)25-11-6-5-7-12-25)33(38)36-22-21-31(34(3,4)23-36)26-17-19-27(35)20-18-26/h6,11,24-28,31-32,37H,5,7-10,12-23H2,1-4H3/t25?,26?,27?,28-,31?,32?/m1/s1
InChIKeyHSSBSIRDMDVJRM-FUMHCLIZSA-N
XLogP8.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.83
LogP ≤ 58.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2S,3R)-1-[4-(4-chlorocyclohexyl)piperidin-1-yl]-2-[3-(4-ethenyl-3-fluorocyclohexen-1-yl)-3-hydroxyprop-1-en-2-yl]-3-methylpentan-1-one
CID 143524545
(5-butyl-6-methylcyclohex-3-en-1-yl)-[4-[[(1R,6R)-6-ethyl-4-hydroxycyclohex-2-en-1-yl]methyl]piperidin-1-yl]methanone
CID 68340980
(2R)-4-(5-cyclohex-2-en-1-ylcyclohexa-2,4-dien-1-yl)-4-hydroxy-1-[4-(4-methylcyclohexa-1,5-dien-1-yl)piperidin-1-yl]-2-propan-2-ylbutan-1-one
CID 143524650
(4R)-1-(4,4-dimethylpiperidin-1-yl)-4-[(3S,8R,9S,10R,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]pentan-1-one
CID 155278501
(4R)-4-[(3S,8R,9S,10R,13R,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-piperidin-1-ylpentan-1-one
CID 156292633
2-[7-(3,3-Dimethylpiperidin-1-yl)-7-oxoheptyl]-3-(3-hydroxyoct-1-enyl)cyclopentan-1-one
CID 3753355
(2S)-2-[(4aS,7S)-7-hydroxy-4a,8-dimethyl-4,5,6,7-tetrahydro-3H-naphthalen-2-yl]-1-piperidin-1-ylpropan-1-one
CID 10852983
(2R,3R)-2-(7-(3,3-dimethylpiperidin-1-yl)-7-oxoheptyl)-3-((S,E)-3-hydroxyoct-1-en-1-yl)cyclopentanone
CID 11873489
trans-(2R,3R)-2-[7-(3,3-dimethylpiperidin-1-yl)-7-oxoheptyl]-3-[(3S)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 132912845

Frequently Asked Questions

What is the IUPAC name of (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one?
The IUPAC name of (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one (CID 143525057) is (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one.
What is the SMILES notation for (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one?
The canonical SMILES for (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one is CC(C)[C@@H](CCCC(O)C1=C(C2C=CCCC2)CCCC1)C(=O)N1CCC(C2CCC(F)CC2)C(C)(C)C1.
What is the InChIKey of (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one?
The InChIKey is HSSBSIRDMDVJRM-FUMHCLIZSA-N. The full InChI is InChI=1S/C34H56FNO2/c1-24(2)28(15-10-16-32(37)30-14-9-8-13-29(30)25-11-6-5-7-12-25)33(38)36-22-21-31(34(3,4)23-36)26-17-19-27(35)20-18-26/h6,11,24-28,31-32,37H,5,7-10,12-23H2,1-4H3/t25?,26?,27?,28-,31?,32?/m1/s1.
What are the key properties of (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one?
(2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one has a molecular weight of 529.83 g/mol, XLogP of 8.42, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(2-cyclohex-2-en-1-ylcyclohexen-1-yl)-1-[4-(4-fluorocyclohexyl)-3,3-dimethylpiperidin-1-yl]-6-hydroxy-2-propan-2-ylhexan-1-one is sourced from PubChem (CID 143525057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).