4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol

C13H22N2O — CID 155632193

IUPAC4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(\C=C)CN1CCC(O)(CN)CC1
InChIInChI=1S/C13H22N2O/c1-3-5-12(4-2)10-15-8-6-13(16,11-14)7-9-15/h3-5,16H,1-2,6-11,14H2/b12-5+
InChIKeyOBIUQMAKUOWRMV-LFYBBSHMSA-N
MW222.33 g/mol
LogP1.07
Rot. Bonds5

About 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol

4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol (PubChem CID 155632193) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
PubChem CID155632193
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
SMILESC=C/C=C(\C=C)CN1CCC(O)(CN)CC1
InChIInChI=1S/C13H22N2O/c1-3-5-12(4-2)10-15-8-6-13(16,11-14)7-9-15/h3-5,16H,1-2,6-11,14H2/b12-5+
InChIKeyOBIUQMAKUOWRMV-LFYBBSHMSA-N
XLogP1.07
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.07
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

4-ethyl-1-[(3Z,5Z)-2-methylidenehepta-3,5-dienyl]piperidin-4-ol
CID 89840395
chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
CID 145044371
4-(Aminomethyl)-1-(cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-ol
CID 145044472
(2E)-3-[[4-(aminomethyl)-4-hydroxypiperidin-1-yl]methyl]penta-2,4-dienal
CID 155239650
1-(2-Methylidenebut-3-enyl)-4-[2-(propan-2-ylamino)ethyl]piperidin-4-ol
CID 156093037
4-(Aminomethyl)-1-prop-2-enylpiperidin-4-ol
CID 82280426
4-(aminomethyl)-1-[(E)-but-2-enyl]piperidin-4-ol
CID 122358722
4-(Aminomethyl)-1-(2-methylprop-2-enyl)piperidin-4-ol
CID 126971360
1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
CID 145044372

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
The IUPAC name of 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol (CID 155632193) is 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
The canonical SMILES for 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol is C=C/C=C(\C=C)CN1CCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
The InChIKey is OBIUQMAKUOWRMV-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-5-12(4-2)10-15-8-6-13(16,11-14)7-9-15/h3-5,16H,1-2,6-11,14H2/b12-5+.
What are the key properties of 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol?
4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol has a molecular weight of 222.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol is sourced from PubChem (CID 155632193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).