1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol

C13H23NO — CID 163860284

IUPAC1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
SMILESC=C/C(=C\C(C)C)CN1CCC(O)CC1
InChIInChI=1S/C13H23NO/c1-4-12(9-11(2)3)10-14-7-5-13(15)6-8-14/h4,9,11,13,15H,1,5-8,10H2,2-3H3/b12-9+
InChIKeyPBXAKSQLFPRYGS-FMIVXFBMSA-N
MW209.33 g/mol
LogP2.21
Rot. Bonds4

About 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol

1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol (PubChem CID 163860284) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
PubChem CID163860284
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol
SMILESC=C/C(=C\C(C)C)CN1CCC(O)CC1
InChIInChI=1S/C13H23NO/c1-4-12(9-11(2)3)10-14-7-5-13(15)6-8-14/h4,9,11,13,15H,1,5-8,10H2,2-3H3/b12-9+
InChIKeyPBXAKSQLFPRYGS-FMIVXFBMSA-N
XLogP2.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.21
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

1-(2,6-Dimethyl-5-hepten-1-yl)-4-piperidinol
CID 2846177
1-[[4-Methyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methyl]piperidin-4-ol
CID 144657257
1-[(Z)-2-fluoro-4,4-dimethylpent-2-enyl]piperidin-4-ol
CID 122366113
(E)-5-methyl-6-piperidin-1-ylhex-4-en-2-ol
CID 12446330
5-Methyl-6-piperidin-1-ylhex-4-en-2-ol
CID 54481819
1-(2,3-Dihydronaphthalen-2-ylmethyl)piperidin-4-ol
CID 87603240
1-(Cyclohexa-1,5-dien-1-ylmethyl)-2-ethylpiperidin-4-ol
CID 87674939
1-[(2Z)-2-[(E)-1-aminoprop-1-enyl]penta-2,4-dienyl]piperidin-4-ol
CID 88905165
4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
[1-[(2E,4Z)-2-methylhepta-2,4-dienyl]piperidin-4-yl]methanol
CID 122535899
3,3,5,5-tetramethyl-1-[(2Z,4Z)-4-methylhexa-2,4-dienyl]piperidin-4-ol
CID 139470817
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperidin-4-ol
CID 142260643

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol?
The IUPAC name of 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol (CID 163860284) is 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol.
What is the SMILES notation for 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol?
The canonical SMILES for 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol is C=C/C(=C\C(C)C)CN1CCC(O)CC1.
What is the InChIKey of 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol?
The InChIKey is PBXAKSQLFPRYGS-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-12(9-11(2)3)10-14-7-5-13(15)6-8-14/h4,9,11,13,15H,1,5-8,10H2,2-3H3/b12-9+.
What are the key properties of 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol?
1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol has a molecular weight of 209.33 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-ethenyl-4-methylpent-2-enyl]piperidin-4-ol is sourced from PubChem (CID 163860284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).