1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine

C17H33N3 — CID 70025741

IUPAC1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H33N3/c1-5-16(15(2)19-13-9-18-10-14-19)17(3,4)20-11-7-6-8-12-20/h5,15,18H,6-14H2,1-4H3/b16-5+
InChIKeyUHAKFIBGVRPYPO-FZSIALSZSA-N
MW279.47 g/mol
LogP2.49
Rot. Bonds4

About 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine

1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine (PubChem CID 70025741) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
PubChem CID70025741
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
SMILESC/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCCCC1
InChIInChI=1S/C17H33N3/c1-5-16(15(2)19-13-9-18-10-14-19)17(3,4)20-11-7-6-8-12-20/h5,15,18H,6-14H2,1-4H3/b16-5+
InChIKeyUHAKFIBGVRPYPO-FZSIALSZSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[(2E,3E,5E)-3,5-difluoro-2-(fluoromethylidene)hepta-3,5-dienyl]piperidin-4-yl]-2-ethylpiperazine
CID 143280108
(2-Piperidin-1-yl-ethyl)-(1,5,9-trimethyl-deca-4,8-dienyl)-amine
CID 6480529
1-[(Z)-2-methyl-3-(1-piperidin-1-ylethyl)pent-3-en-2-yl]piperidine
CID 18547048
1-[2,4-Dimethyl-3-(2-piperazin-1-ylpropan-2-yl)hex-3-en-2-yl]piperazine
CID 18547072
1-[(Z)-2-(1-piperazin-1-ylethyl)but-2-enyl]piperazine
CID 18547116
1-[(E)-2-methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 18547187
1-[(E)-2-methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 70025615
1-[2-Methyl-3-(1-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 70025616
1-[2-Methyl-3-(2-pyrrolidin-1-ylethyl)pent-3-en-2-yl]piperazine
CID 70025617
1-[3-(2-Piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine
CID 70025743
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
1-[2-(1-Piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026885

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
The IUPAC name of 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine (CID 70025741) is 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine.
What is the SMILES notation for 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
The canonical SMILES for 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine is C/C=C(\C(C)N1CCNCC1)C(C)(C)N1CCCCC1.
What is the InChIKey of 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
The InChIKey is UHAKFIBGVRPYPO-FZSIALSZSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-16(15(2)19-13-9-18-10-14-19)17(3,4)20-11-7-6-8-12-20/h5,15,18H,6-14H2,1-4H3/b16-5+.
What are the key properties of 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine?
1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine has a molecular weight of 279.47 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(2-piperidin-1-ylpropan-2-yl)pent-3-en-2-yl]piperazine is sourced from PubChem (CID 70025741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).