(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine

C15H26N2O — CID 142167682

IUPAC(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
SMILESC=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1
InChIInChI=1S/C15H26N2O/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13/h6,13,16-17H,2-3,5,7-11H2,1,4H3/b15-14-
InChIKeyKDYZEHCNGXCECF-PFONDFGASA-N
MW250.39 g/mol
LogP2.93
Rot. Bonds7

About (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine

(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine (PubChem CID 142167682) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine.

Molecular Properties

Compound Name(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
PubChem CID142167682
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine
SMILESC=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1
InChIInChI=1S/C15H26N2O/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13/h6,13,16-17H,2-3,5,7-11H2,1,4H3/b15-14-
InChIKeyKDYZEHCNGXCECF-PFONDFGASA-N
XLogP2.93
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
The IUPAC name of (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine (CID 142167682) is (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine.
What is the SMILES notation for (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
The canonical SMILES for (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine is C=C/C(=C(\CCC)NC(=C)OC)C1CCNCC1.
What is the InChIKey of (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
The InChIKey is KDYZEHCNGXCECF-PFONDFGASA-N. The full InChI is InChI=1S/C15H26N2O/c1-5-7-15(17-12(3)18-4)14(6-2)13-8-10-16-11-9-13/h6,13,16-17H,2-3,5,7-11H2,1,4H3/b15-14-.
What are the key properties of (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine?
(3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine has a molecular weight of 250.39 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(1-methoxyethenyl)-3-piperidin-4-ylhepta-1,3-dien-4-amine is sourced from PubChem (CID 142167682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).