(Z)-1-piperidin-4-ylbut-2-en-1-imine

C9H16N2 — CID 162748453

IUPAC(Z)-1-piperidin-4-ylbut-2-en-1-imine
SMILES[H]/N=C(\C=C/C)C1CCNCC1
InChIInChI=1S/C9H16N2/c1-2-3-9(10)8-4-6-11-7-5-8/h2-3,8,10-11H,4-7H2,1H3/b3-2-,10-9+
InChIKeyILASMVDGCYRWQT-TWCXWQTESA-N
MW152.24 g/mol
LogP1.58
Rot. Bonds2

About (Z)-1-piperidin-4-ylbut-2-en-1-imine

(Z)-1-piperidin-4-ylbut-2-en-1-imine (PubChem CID 162748453) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-1-piperidin-4-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-1-piperidin-4-ylbut-2-en-1-imine
PubChem CID162748453
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-1-piperidin-4-ylbut-2-en-1-imine
SMILES[H]/N=C(\C=C/C)C1CCNCC1
InChIInChI=1S/C9H16N2/c1-2-3-9(10)8-4-6-11-7-5-8/h2-3,8,10-11H,4-7H2,1H3/b3-2-,10-9+
InChIKeyILASMVDGCYRWQT-TWCXWQTESA-N
XLogP1.58
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Fluoropiperidin-3-yl)-2-methylhexa-1,4-dien-3-imine
CID 123277706
(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
(4E)-5-fluoro-N-(3-methylpiperidin-4-yl)hexa-1,4-dien-3-imine
CID 123991439
(E)-2-fluoro-1-(4-fluoropiperidin-4-yl)-N-methylpent-2-en-1-imine
CID 144037445
6-(4-Fluoropiperidin-4-yl)-2,3-dihydropyridine-3-carbonitrile
CID 147805246
2-Methyl-2-piperidin-4-ylbenzimidazole
CID 21268299
4-But-2-enylpiperidine
CID 53760686
4-But-1-enylpiperidine
CID 54511276
4-Pent-2-enylpiperidine
CID 57066458
6-Piperidin-4-yl-2,5-dihydropyridine
CID 57184087
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
4-[(E)-but-2-enyl]piperidine
CID 59090861

Frequently Asked Questions

What is the IUPAC name of (Z)-1-piperidin-4-ylbut-2-en-1-imine?
The IUPAC name of (Z)-1-piperidin-4-ylbut-2-en-1-imine (CID 162748453) is (Z)-1-piperidin-4-ylbut-2-en-1-imine.
What is the SMILES notation for (Z)-1-piperidin-4-ylbut-2-en-1-imine?
The canonical SMILES for (Z)-1-piperidin-4-ylbut-2-en-1-imine is [H]/N=C(\C=C/C)C1CCNCC1.
What is the InChIKey of (Z)-1-piperidin-4-ylbut-2-en-1-imine?
The InChIKey is ILASMVDGCYRWQT-TWCXWQTESA-N. The full InChI is InChI=1S/C9H16N2/c1-2-3-9(10)8-4-6-11-7-5-8/h2-3,8,10-11H,4-7H2,1H3/b3-2-,10-9+.
What are the key properties of (Z)-1-piperidin-4-ylbut-2-en-1-imine?
(Z)-1-piperidin-4-ylbut-2-en-1-imine has a molecular weight of 152.24 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-piperidin-4-ylbut-2-en-1-imine is sourced from PubChem (CID 162748453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).