(E)-2-piperidin-1-ylbut-2-en-1-imine

C9H16N2 — CID 123625477

IUPAC(E)-2-piperidin-1-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=C\C)N1CCCCC1
InChIInChI=1S/C9H16N2/c1-2-9(8-10)11-6-4-3-5-7-11/h2,8,10H,3-7H2,1H3/b9-2+,10-8+
InChIKeySYPGWQVEGPZZCF-MYTRZUGTSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds2

About (E)-2-piperidin-1-ylbut-2-en-1-imine

(E)-2-piperidin-1-ylbut-2-en-1-imine (PubChem CID 123625477) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (E)-2-piperidin-1-ylbut-2-en-1-imine.

Molecular Properties

Compound Name(E)-2-piperidin-1-ylbut-2-en-1-imine
PubChem CID123625477
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(E)-2-piperidin-1-ylbut-2-en-1-imine
SMILES[H]/N=C/C(=C\C)N1CCCCC1
InChIInChI=1S/C9H16N2/c1-2-9(8-10)11-6-4-3-5-7-11/h2,8,10H,3-7H2,1H3/b9-2+,10-8+
InChIKeySYPGWQVEGPZZCF-MYTRZUGTSA-N
XLogP2.03
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-Ethylpiperazin-1-yl)but-2-en-1-imine
CID 123604001
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
1-[(E)-1,4-diiminobut-2-en-2-yl]-N-methylpiperidin-4-amine
CID 144349549
4-(1-Methylpiperidin-4-yl)iminobut-2-en-2-amine
CID 173766079
ethane;molecular hydrogen;(E,1Z)-1-(1-piperidin-1-ylethylimino)but-2-en-2-amine
CID 177223374
(E)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699558
(E)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699560
(Z)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 21629331
(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 23240096
1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine
CID 57379311
(E,1Z)-1-(1-piperidin-1-ylethylimino)but-2-en-2-amine
CID 177223375

Frequently Asked Questions

What is the IUPAC name of (E)-2-piperidin-1-ylbut-2-en-1-imine?
The IUPAC name of (E)-2-piperidin-1-ylbut-2-en-1-imine (CID 123625477) is (E)-2-piperidin-1-ylbut-2-en-1-imine.
What is the SMILES notation for (E)-2-piperidin-1-ylbut-2-en-1-imine?
The canonical SMILES for (E)-2-piperidin-1-ylbut-2-en-1-imine is [H]/N=C/C(=C\C)N1CCCCC1.
What is the InChIKey of (E)-2-piperidin-1-ylbut-2-en-1-imine?
The InChIKey is SYPGWQVEGPZZCF-MYTRZUGTSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9(8-10)11-6-4-3-5-7-11/h2,8,10H,3-7H2,1H3/b9-2+,10-8+.
What are the key properties of (E)-2-piperidin-1-ylbut-2-en-1-imine?
(E)-2-piperidin-1-ylbut-2-en-1-imine has a molecular weight of 152.24 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-piperidin-1-ylbut-2-en-1-imine is sourced from PubChem (CID 123625477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).