3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine

C13H25N3 — CID 2735926

IUPAC3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)CCCN1CCNCC1
InChIInChI=1S/C13H25N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h3-4,14H,1-2,5-13H2
InChIKeyZOZYCTDRMYGAKS-UHFFFAOYSA-N
MW223.36 g/mol
LogP0.96
Rot. Bonds8

About 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine

3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine (PubChem CID 2735926) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine.

Molecular Properties

Compound Name3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine
PubChem CID2735926
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine
SMILESC=CCN(CC=C)CCCN1CCNCC1
InChIInChI=1S/C13H25N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h3-4,14H,1-2,5-13H2
InChIKeyZOZYCTDRMYGAKS-UHFFFAOYSA-N
XLogP0.96
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 50.96
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

1-Allylpiperazine
CID 806422
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(Prop-2-en-1-yl)-1,4-diazepane
CID 22921984
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
N-allyl-3-methylpiperazine
CID 23447962
1-(4-Fluorobut-2-enyl)piperazine
CID 139714684
2-(4-Prop-2-enylpiperazin-1-yl)ethanamine
CID 4742418
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
CID 55085259
N-[2-(4-prop-2-enylpiperazin-1-yl)ethyl]prop-2-en-1-amine
CID 171323299

Frequently Asked Questions

What is the IUPAC name of 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine?
The IUPAC name of 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine (CID 2735926) is 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine.
What is the SMILES notation for 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine?
The canonical SMILES for 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine is C=CCN(CC=C)CCCN1CCNCC1.
What is the InChIKey of 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine?
The InChIKey is ZOZYCTDRMYGAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-8-15(9-4-2)10-5-11-16-12-6-14-7-13-16/h3-4,14H,1-2,5-13H2.
What are the key properties of 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine?
3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperazin-1-yl-N,N-bis(prop-2-enyl)propan-1-amine is sourced from PubChem (CID 2735926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).