4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol

C15H25NO — CID 142097570

IUPAC4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol
SMILESC=C(/C=C\C=C/C)C1(O)CCN(C(C)C)CC1
InChIInChI=1S/C15H25NO/c1-5-6-7-8-14(4)15(17)9-11-16(12-10-15)13(2)3/h5-8,13,17H,4,9-12H2,1-3H3/b6-5-,8-7-
InChIKeyQZQUBGGRVLYRPX-ISTTXYCBSA-N
MW235.37 g/mol
LogP2.91
Rot. Bonds4

About 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol

4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol (PubChem CID 142097570) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol
PubChem CID142097570
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol
SMILESC=C(/C=C\C=C/C)C1(O)CCN(C(C)C)CC1
InChIInChI=1S/C15H25NO/c1-5-6-7-8-14(4)15(17)9-11-16(12-10-15)13(2)3/h5-8,13,17H,4,9-12H2,1-3H3/b6-5-,8-7-
InChIKeyQZQUBGGRVLYRPX-ISTTXYCBSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-Hydroxy-3-methyl-1-butenyl)-1-methyl-4-piperidinol
CID 12283012
4-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-1-methylpiperidin-4-ol
CID 134365797
1-methyl-4-[(3E,5E)-7,7,7-trifluoro-6-methylhepta-1,3,5-trien-4-yl]piperidin-4-ol
CID 143177636
1-(Methylethyl)-4-prop-2-enylpiperidin-4-ol
CID 5200463
4-Cyclohepta-1,3,6-trien-1-yl-1-methylpiperidin-4-ol
CID 58361231
4-Ethenyl-1-propan-2-ylpiperidin-4-ol
CID 65418858
4-Methyl-4-hydroxybenzylpiperidine
CID 69949887
1-[(E)-but-2-en-2-yl]-4-[(3Z,5E)-5-chlorohepta-1,3,5-trien-2-yl]piperidin-4-ol
CID 89073947
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
4-But-2-en-2-yl-1-methylpiperidin-4-ol
CID 91525335
4-[(3E,5E)-6-chlorohexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-ol
CID 118327377
4-Cyclohepta-1,3,6-trien-1-yl-1-(dimethylamino)piperidin-4-ol
CID 123561838

Frequently Asked Questions

What is the IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol (CID 142097570) is 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol is C=C(/C=C\C=C/C)C1(O)CCN(C(C)C)CC1.
What is the InChIKey of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol?
The InChIKey is QZQUBGGRVLYRPX-ISTTXYCBSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-6-7-8-14(4)15(17)9-11-16(12-10-15)13(2)3/h5-8,13,17H,4,9-12H2,1-3H3/b6-5-,8-7-.
What are the key properties of 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol?
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol has a molecular weight of 235.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 142097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).