1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol

C16H27NO2S — CID 156878014

IUPAC1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol
SMILESC/C=C(\C=C/C(=C\C)S(=O)N1CCC(O)CC1)C(C)C
InChIInChI=1S/C16H27NO2S/c1-5-14(13(3)4)7-8-16(6-2)20(19)17-11-9-15(18)10-12-17/h5-8,13,15,18H,9-12H2,1-4H3/b8-7-,14-5+,16-6+
InChIKeySOZJYBXFNONEPY-WAMZBXSRSA-N
MW297.46 g/mol
LogP3.17
Rot. Bonds5

About 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol

1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol (PubChem CID 156878014) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol
PubChem CID156878014
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol
SMILESC/C=C(\C=C/C(=C\C)S(=O)N1CCC(O)CC1)C(C)C
InChIInChI=1S/C16H27NO2S/c1-5-14(13(3)4)7-8-16(6-2)20(19)17-11-9-15(18)10-12-17/h5-8,13,15,18H,9-12H2,1-4H3/b8-7-,14-5+,16-6+
InChIKeySOZJYBXFNONEPY-WAMZBXSRSA-N
XLogP3.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol with MolForge

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Related Compounds

4-hydroxypiperidine-1-sulfinate
CID 66959105
1-cyclopentylsulfinylpiperidin-4-ol
CID 131181816
tris(3-hydroxy-1-(4-hydroxypiperidin-1-yl)-4-methylpent-2-en-1-one);iron
CID 148668946
methane;1-propan-2-ylpiperidin-4-ol
CID 158347030
1-(2-methylpyrrolidin-1-yl)sulfinylpiperidin-4-ol
CID 70236975
1-[(3Z,5Z)-5-propan-2-ylhepta-1,3,5-trien-2-yl]sulfinyl-3,4-dihydro-2H-quinoline
CID 156877944
2-(4-hydroxypiperidin-1-yl)-N,N-bis(prop-2-enyl)propanamide
CID 110884233
cyclopropanol;2-methylpropanoic acid
CID 174792699
1-(1-amino-3-methylbutan-2-yl)piperidin-4-ol
CID 82405643
3-(4-hydroxypiperidin-1-yl)-2-methylbutanoic acid
CID 79407467
1-(1-aminoethyl)pyrrolidin-3-ol
CID 68831329
1-[(3E,5E)-6,7-dimethylocta-1,3,5-trien-3-yl]sulfinylpiperidine;2-methylpropane
CID 156877730

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol?
The IUPAC name of 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol (CID 156878014) is 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol.
What is the SMILES notation for 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol?
The canonical SMILES for 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol is C/C=C(\C=C/C(=C\C)S(=O)N1CCC(O)CC1)C(C)C.
What is the InChIKey of 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol?
The InChIKey is SOZJYBXFNONEPY-WAMZBXSRSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-5-14(13(3)4)7-8-16(6-2)20(19)17-11-9-15(18)10-12-17/h5-8,13,15,18H,9-12H2,1-4H3/b8-7-,14-5+,16-6+.
What are the key properties of 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol?
1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol has a molecular weight of 297.46 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z,6Z)-6-propan-2-ylocta-2,4,6-trien-3-yl]sulfinylpiperidin-4-ol is sourced from PubChem (CID 156878014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).