1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol

C14H26N2O — CID 142300542

IUPAC1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
SMILESC/C=C\C(C)=C(/NC)C(C)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O/c1-5-6-11(2)14(15-4)12(3)16-9-7-13(17)8-10-16/h5-6,12-13,15,17H,7-10H2,1-4H3/b6-5-,14-11-
InChIKeySEHHAEXIUZJYNE-VAXNBSJKSA-N
MW238.38 g/mol
LogP1.90
Rot. Bonds4

About 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol

1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol (PubChem CID 142300542) has the molecular formula C14H26N2O and a molecular weight of 238.38 g/mol. Its IUPAC name is 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
PubChem CID142300542
Molecular FormulaC14H26N2O
Molecular Weight238.38 g/mol
Exact Mass238.20
IUPAC Name1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol
SMILESC/C=C\C(C)=C(/NC)C(C)N1CCC(O)CC1
InChIInChI=1S/C14H26N2O/c1-5-6-11(2)14(15-4)12(3)16-9-7-13(17)8-10-16/h5-6,12-13,15,17H,7-10H2,1-4H3/b6-5-,14-11-
InChIKeySEHHAEXIUZJYNE-VAXNBSJKSA-N
XLogP1.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 88905165
1-(4-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 89073983
1-(1-Aminohepta-2,4-dien-4-yl)piperidin-4-ol
CID 123300699
2-(4-hydroxypiperidin-1-yl)-N-(5-methylocta-2,4,6-trien-4-yl)acetamide
CID 124017694
1-[1-(2-Methylbut-3-en-2-ylamino)butan-2-yl]piperidin-4-ol
CID 132192199
1-[(2Z,4Z)-2-(methylamino)hepta-2,4,6-trien-3-yl]piperidin-4-ol
CID 143800909
Ethane;1-[2-(methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
CID 143800922
1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
CID 144862322
[(2S)-4-[(2E,3Z)-2-propylidenehexa-3,5-dienyl]piperazin-2-yl]methanol
CID 169570229
1-(2-Aminocyclohexa-1,5-dien-1-yl)piperidin-4-ol
CID 174268396
2-(4-Hydroxypiperidin-1-yl)-5-(methylamino)cyclohepta-1,3,6-triene-1-carbonitrile
CID 142846579
1-[2-(Methylamino)cyclohexa-1,3-dien-1-yl]piperidin-4-ol
CID 143800923

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol?
The IUPAC name of 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol (CID 142300542) is 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol is C/C=C\C(C)=C(/NC)C(C)N1CCC(O)CC1.
What is the InChIKey of 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol?
The InChIKey is SEHHAEXIUZJYNE-VAXNBSJKSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-6-11(2)14(15-4)12(3)16-9-7-13(17)8-10-16/h5-6,12-13,15,17H,7-10H2,1-4H3/b6-5-,14-11-.
What are the key properties of 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol?
1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol has a molecular weight of 238.38 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3Z,5Z)-4-methyl-3-(methylamino)hepta-3,5-dien-2-yl]piperidin-4-ol is sourced from PubChem (CID 142300542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).