1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol

C22H41NO — CID 142043044

IUPAC1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol
SMILESCC(C)C1=CCCC(C(C)C)C1CC(C)C1CCCC(C(C)O)N1
InChIInChI=1S/C22H41NO/c1-14(2)18-9-7-10-19(15(3)4)20(18)13-16(5)21-11-8-12-22(23-21)17(6)24/h9,14-17,19-24H,7-8,10-13H2,1-6H3
InChIKeyZUCAJBSZOYIMQZ-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.17
Rot. Bonds6

About 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol

1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol (PubChem CID 142043044) has the molecular formula C22H41NO and a molecular weight of 335.58 g/mol. Its IUPAC name is 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol
PubChem CID142043044
Molecular FormulaC22H41NO
Molecular Weight335.58 g/mol
Exact Mass335.32
IUPAC Name1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol
SMILESCC(C)C1=CCCC(C(C)C)C1CC(C)C1CCCC(C(C)O)N1
InChIInChI=1S/C22H41NO/c1-14(2)18-9-7-10-19(15(3)4)20(18)13-16(5)21-11-8-12-22(23-21)17(6)24/h9,14-17,19-24H,7-8,10-13H2,1-6H3
InChIKeyZUCAJBSZOYIMQZ-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol with MolForge

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Launch Full Analysis

Related Compounds

(4R)-1-[(2R)-1-hydroxy-2-(1-hydroxypropylamino)-3-methylbutyl]-3,3-dimethyl-4-(4-methylcyclohex-3-en-1-yl)piperidin-4-ol
CID 68097897
(2S)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroisoquinolin-1-yl)propan-2-ol
CID 69367382
1-Amino-3-(1,2,3,4,4a,5,6,7-octahydroisoquinolin-1-yl)propan-2-ol
CID 69367392
(2R)-1-amino-3-(1,2,3,4,4a,5,6,7-octahydroquinolin-2-yl)propan-2-ol
CID 69387925
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186
(2S)-2-[[[5-cyclohexyl-3-[(E)-pent-2-en-3-yl]cyclohex-3-en-1-yl]-hydroxymethyl]amino]propan-1-ol
CID 70235430
(1S)-3-[(5R)-5-ethylcyclohexen-1-yl]-1-[4-(methylaminomethyl)cyclohexyl]propan-1-ol
CID 70325290
(1S)-1-[4-(butylaminomethyl)cyclohexyl]-3-(5-ethylcyclohexen-1-yl)propan-1-ol
CID 70325306
4-[2-[[(Z)-4-cyclohexyl-5-ethyl-7-hydroxyhept-3-enyl]amino]-1-hydroxy-2-methylpropyl]cyclohexan-1-ol
CID 71022072
(5S)-2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-3-(2-methylpropylamino)hexan-2-ol
CID 71276986
4-[(3-Cyclohex-3-en-1-yl-2-methylpropyl)amino]-5-methylheptan-3-ol
CID 91205271
5-Cyclopropyl-2-[[2-[3-hydroxy-2-(2-propan-2-ylbut-3-enylamino)butyl]cyclohexylidene]methyl]pentane-1,1-diol
CID 91242739

Frequently Asked Questions

What is the IUPAC name of 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol?
The IUPAC name of 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol (CID 142043044) is 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol.
What is the SMILES notation for 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol?
The canonical SMILES for 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol is CC(C)C1=CCCC(C(C)C)C1CC(C)C1CCCC(C(C)O)N1.
What is the InChIKey of 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol?
The InChIKey is ZUCAJBSZOYIMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41NO/c1-14(2)18-9-7-10-19(15(3)4)20(18)13-16(5)21-11-8-12-22(23-21)17(6)24/h9,14-17,19-24H,7-8,10-13H2,1-6H3.
What are the key properties of 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol?
1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol has a molecular weight of 335.58 g/mol, XLogP of 5.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[1-[2,6-di(propan-2-yl)cyclohex-2-en-1-yl]propan-2-yl]piperidin-2-yl]ethanol is sourced from PubChem (CID 142043044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).