(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine

C13H22N2 — CID 123845307

IUPAC(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C(=C)C1CCCNC1)CCC
InChIInChI=1S/C13H22N2/c1-3-5-13(14)8-7-11(2)12-6-4-9-15-10-12/h7-8,12,14-15H,2-6,9-10H2,1H3/b8-7-,14-13+
InChIKeyJZVXMTSDTRDTOH-ISHIJUGMSA-N
MW206.33 g/mol
LogP2.92
Rot. Bonds5

About (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine

(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine (PubChem CID 123845307) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine.

Molecular Properties

Compound Name(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
PubChem CID123845307
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine
SMILES[H]/N=C(/C=C\C(=C)C1CCCNC1)CCC
InChIInChI=1S/C13H22N2/c1-3-5-13(14)8-7-11(2)12-6-4-9-15-10-12/h7-8,12,14-15H,2-6,9-10H2,1H3/b8-7-,14-13+
InChIKeyJZVXMTSDTRDTOH-ISHIJUGMSA-N
XLogP2.92
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
(4,6-Difluorocyclohexa-1,3-dien-1-yl)-piperidin-4-ylmethanimine
CID 142867709
(3aR)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271931
(3aS)-6-fluoro-3-piperidin-4-yl-3aH-indazole
CID 124271932
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
[Phenyl(piperidin-4-yl)methylidene]azanide;yttrium
CID 58327603
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
3-piperidin-4-yl-5,6-dihydro-1H-isoindole
CID 58690582
(NE)-N-[phenyl(piperidin-4-yl)methylidene]hydroxylamine;yttrium
CID 59974004
2-piperidin-4-yl-2H-indole
CID 69374500
4-[(2Z,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 89125148

Frequently Asked Questions

What is the IUPAC name of (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine?
The IUPAC name of (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine (CID 123845307) is (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine.
What is the SMILES notation for (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine?
The canonical SMILES for (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine is [H]/N=C(/C=C\C(=C)C1CCCNC1)CCC.
What is the InChIKey of (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine?
The InChIKey is JZVXMTSDTRDTOH-ISHIJUGMSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-5-13(14)8-7-11(2)12-6-4-9-15-10-12/h7-8,12,14-15H,2-6,9-10H2,1H3/b8-7-,14-13+.
What are the key properties of (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine?
(5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine has a molecular weight of 206.33 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-7-piperidin-3-ylocta-5,7-dien-4-imine is sourced from PubChem (CID 123845307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).