1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine

C15H29N3 — CID 70026885

IUPAC1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
SMILESCC=C(CN1CCNCC1)C(C)N1CCCCC1
InChIInChI=1S/C15H29N3/c1-3-15(13-17-11-7-16-8-12-17)14(2)18-9-5-4-6-10-18/h3,14,16H,4-13H2,1-2H3
InChIKeySSCCERVKCKDRTM-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.71
Rot. Bonds4

About 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine

1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine (PubChem CID 70026885) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine.

Molecular Properties

Compound Name1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
PubChem CID70026885
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine
SMILESCC=C(CN1CCNCC1)C(C)N1CCCCC1
InChIInChI=1S/C15H29N3/c1-3-15(13-17-11-7-16-8-12-17)14(2)18-9-5-4-6-10-18/h3,14,16H,4-13H2,1-2H3
InChIKeySSCCERVKCKDRTM-UHFFFAOYSA-N
XLogP1.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-[1-(azacyclotridec-1-yl)ethyl]but-2-enyl]-dimethylsilane
CID 173072469
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
2-[1-(azocan-1-yl)ethyl]but-2-enyl-dipropylsilane
CID 123313740
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158027588
methane;1-propan-2-ylazepane;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 157479144
methane;3-methyl-1-(4-methylpiperazin-1-yl)butan-2-one;3-methyl-1-piperazin-1-ylbutan-2-one;3-methyl-1-piperidin-1-ylbutan-2-one
CID 159657528
1-(azepan-1-yl)-2-(1,4-diazepan-1-yl)propan-1-one;hydrochloride
CID 119925291
(1E,3E)-1-iodo-4-(piperazin-1-ylmethyl)hexa-1,3-dien-1-amine
CID 134406327
1-[1-(1,4,7-triazonan-1-yl)propan-2-yl]-1,4,7-triazonane
CID 22495519
1-[(Z)-2-(2-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 70026988
(Z)-N-(1-fluoroethyl)-1-piperazin-1-ylpent-3-en-2-imine
CID 154023825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine?
The IUPAC name of 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine (CID 70026885) is 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine.
What is the SMILES notation for 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine?
The canonical SMILES for 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine is CC=C(CN1CCNCC1)C(C)N1CCCCC1.
What is the InChIKey of 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine?
The InChIKey is SSCCERVKCKDRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-3-15(13-17-11-7-16-8-12-17)14(2)18-9-5-4-6-10-18/h3,14,16H,4-13H2,1-2H3.
What are the key properties of 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine?
1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine has a molecular weight of 251.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-piperidin-1-ylethyl)but-2-enyl]piperazine is sourced from PubChem (CID 70026885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).