(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine

C15H24N2 — CID 89331657

IUPAC(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)CC(=C)CC1CCNCC1
InChIInChI=1S/C15H24N2/c1-3-4-14(5-8-16)11-13(2)12-15-6-9-17-10-7-15/h3-5,8,15,17H,1-2,6-7,9-12,16H2/b8-5-,14-4+
InChIKeyFPDMOAVJYFBZGK-CQXJEZQLSA-N
MW232.37 g/mol
LogP2.91
Rot. Bonds6

About (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine

(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine (PubChem CID 89331657) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine
PubChem CID89331657
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine
SMILESC=C/C=C(\C=C/N)CC(=C)CC1CCNCC1
InChIInChI=1S/C15H24N2/c1-3-4-14(5-8-16)11-13(2)12-15-6-9-17-10-7-15/h3-5,8,15,17H,1-2,6-7,9-12,16H2/b8-5-,14-4+
InChIKeyFPDMOAVJYFBZGK-CQXJEZQLSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine?
The IUPAC name of (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine (CID 89331657) is (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine.
What is the SMILES notation for (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine?
The canonical SMILES for (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine is C=C/C=C(\C=C/N)CC(=C)CC1CCNCC1.
What is the InChIKey of (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine?
The InChIKey is FPDMOAVJYFBZGK-CQXJEZQLSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-14(5-8-16)11-13(2)12-15-6-9-17-10-7-15/h3-5,8,15,17H,1-2,6-7,9-12,16H2/b8-5-,14-4+.
What are the key properties of (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine?
(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine is sourced from PubChem (CID 89331657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).