1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one

C18H29NO2 — CID 169232114

IUPAC1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
SMILESCC1CC=CC=C1CCCCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C18H29NO2/c1-15-7-5-6-9-16(15)8-3-2-4-10-18(21)19-13-11-17(20)12-14-19/h5-6,9,15,17,20H,2-4,7-8,10-14H2,1H3
InChIKeyZGFOMHMMHIERGN-UHFFFAOYSA-N
MW291.43 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one

1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one (PubChem CID 169232114) has the molecular formula C18H29NO2 and a molecular weight of 291.43 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
PubChem CID169232114
Molecular FormulaC18H29NO2
Molecular Weight291.43 g/mol
Exact Mass291.22
IUPAC Name1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one
SMILESCC1CC=CC=C1CCCCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C18H29NO2/c1-15-7-5-6-9-16(15)8-3-2-4-10-18(21)19-13-11-17(20)12-14-19/h5-6,9,15,17,20H,2-4,7-8,10-14H2,1H3
InChIKeyZGFOMHMMHIERGN-UHFFFAOYSA-N
XLogP3.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,6E,8E)-1-(4-hydroxypiperidin-1-yl)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-one
CID 56673340
1-(4-Hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 53830373
N-dec-4-enyl-N-(2,3-dihydroxypropyl)-3-ethyloctanamide
CID 53855903
N-(2,3-dihydroxypropyl)-N-dodec-6-enyl-3-ethyldecanamide
CID 54226385
N-(2,3-dihydroxypropyl)-3-ethyl-N-hexadec-3-enyloctanamide
CID 54381682
N-(2,3-dihydroxypropyl)-3-ethyl-N-tetradec-3-enyloctanamide
CID 54557620
2-[4-(4-Hydroxypiperidin-1-yl)-3-methyl-4-oxobutyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 67110374
(Z)-1-(4-hydroxypiperidin-1-yl)octadec-9-en-1-one
CID 67649047
1-(4-Hydroxypiperidin-1-yl)-2-(4-methylidenecyclohexyl)ethanone
CID 90697781
1-(4-Hydroxypiperidin-1-yl)-4-(2,4,5-trimethylcyclohexa-1,4-dien-1-yl)butan-1-one
CID 90904324
(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
[2-[(5Z)-5-ethenylocta-5,7-dienyl]cyclopropyl]-(4-hydroxypiperidin-1-yl)methanone
CID 169232113

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one (CID 169232114) is 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one is CC1CC=CC=C1CCCCCC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one?
The InChIKey is ZGFOMHMMHIERGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-15-7-5-6-9-16(15)8-3-2-4-10-18(21)19-13-11-17(20)12-14-19/h5-6,9,15,17,20H,2-4,7-8,10-14H2,1H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one?
1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one has a molecular weight of 291.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-6-(6-methylcyclohexa-1,3-dien-1-yl)hexan-1-one is sourced from PubChem (CID 169232114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).