1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine

C14H25N2+ — CID 57379311

IUPAC1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine
SMILESC/C(=C\C=[N+]1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H25N2/c1-14(16-11-6-3-7-12-16)8-13-15-9-4-2-5-10-15/h8,13H,2-7,9-12H2,1H3/q+1
InChIKeyDAPJCHIGXIMZKC-UHFFFAOYSA-N
MW221.37 g/mol
LogP2.64
Rot. Bonds2

About 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine

1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine (PubChem CID 57379311) has the molecular formula C14H25N2+ and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine.

Molecular Properties

Compound Name1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine
PubChem CID57379311
Molecular FormulaC14H25N2+
Molecular Weight221.37 g/mol
Exact Mass221.20
IUPAC Name1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine
SMILESC/C(=C\C=[N+]1CCCCC1)N1CCCCC1
InChIInChI=1S/C14H25N2/c1-14(16-11-6-3-7-12-16)8-13-15-9-4-2-5-10-15/h8,13H,2-7,9-12H2,1H3/q+1
InChIKeyDAPJCHIGXIMZKC-UHFFFAOYSA-N
XLogP2.64
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-Piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
CID 90858
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
CID 134875136
1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 5475710
1-[(1Z,3Z)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 92526206
1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11198950
1-(3-Piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
CID 71356626
(E)-2-piperidin-1-ylbut-2-en-1-imine
CID 123625477
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
(E)-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-N-prop-1-en-2-ylbut-2-en-1-imine
CID 169812802
(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

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine?
The IUPAC name of 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine (CID 57379311) is 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine.
What is the SMILES notation for 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine?
The canonical SMILES for 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine is C/C(=C\C=[N+]1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine?
The InChIKey is DAPJCHIGXIMZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N2/c1-14(16-11-6-3-7-12-16)8-13-15-9-4-2-5-10-15/h8,13H,2-7,9-12H2,1H3/q+1.
What are the key properties of 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine?
1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine has a molecular weight of 221.37 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4-piperidin-1-ium-1-ylidenebut-2-en-2-yl]piperidine is sourced from PubChem (CID 57379311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).