(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol

C14H24N2O — CID 142590707

IUPAC(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol
SMILESC=C/C=C(\C=C)CC(O)CN1CCC(N)CC1
InChIInChI=1S/C14H24N2O/c1-3-5-12(4-2)10-14(17)11-16-8-6-13(15)7-9-16/h3-5,13-14,17H,1-2,6-11,15H2/b12-5+
InChIKeyRMNOCPXQLAWDQB-LFYBBSHMSA-N
MW236.36 g/mol
LogP1.46
Rot. Bonds6

About (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol

(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol (PubChem CID 142590707) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol.

Molecular Properties

Compound Name(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol
PubChem CID142590707
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol
SMILESC=C/C=C(\C=C)CC(O)CN1CCC(N)CC1
InChIInChI=1S/C14H24N2O/c1-3-5-12(4-2)10-14(17)11-16-8-6-13(15)7-9-16/h3-5,13-14,17H,1-2,6-11,15H2/b12-5+
InChIKeyRMNOCPXQLAWDQB-LFYBBSHMSA-N
XLogP1.46
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol?
The IUPAC name of (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol (CID 142590707) is (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol.
What is the SMILES notation for (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol?
The canonical SMILES for (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol is C=C/C=C(\C=C)CC(O)CN1CCC(N)CC1.
What is the InChIKey of (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol?
The InChIKey is RMNOCPXQLAWDQB-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H24N2O/c1-3-5-12(4-2)10-14(17)11-16-8-6-13(15)7-9-16/h3-5,13-14,17H,1-2,6-11,15H2/b12-5+.
What are the key properties of (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol?
(4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol has a molecular weight of 236.36 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-1-(4-aminopiperidin-1-yl)-4-ethenylhepta-4,6-dien-2-ol is sourced from PubChem (CID 142590707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).