ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine

C21H32N4 — CID 142200369

IUPACethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine
SMILESCC.CCC1=CC(c2cc(/C=C/CN3CCNCC3)ccn2)NC=C1
InChIInChI=1S/C19H26N4.C2H6/c1-2-16-5-7-21-18(14-16)19-15-17(6-8-22-19)4-3-11-23-12-9-20-10-13-23;1-2/h3-8,14-15,18,20-21H,2,9-13H2,1H3;1-2H3/b4-3+;
InChIKeyUBOGJSSGIPOCQN-BJILWQEISA-N
MW340.52 g/mol
LogP3.52
Rot. Bonds5

About ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine

ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine (PubChem CID 142200369) has the molecular formula C21H32N4 and a molecular weight of 340.52 g/mol. Its IUPAC name is ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Nameethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine
PubChem CID142200369
Molecular FormulaC21H32N4
Molecular Weight340.52 g/mol
Exact Mass340.26
IUPAC Nameethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine
SMILESCC.CCC1=CC(c2cc(/C=C/CN3CCNCC3)ccn2)NC=C1
InChIInChI=1S/C19H26N4.C2H6/c1-2-16-5-7-21-18(14-16)19-15-17(6-8-22-19)4-3-11-23-12-9-20-10-13-23;1-2/h3-8,14-15,18,20-21H,2,9-13H2,1H3;1-2H3/b4-3+;
InChIKeyUBOGJSSGIPOCQN-BJILWQEISA-N
XLogP3.52
TPSA40.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(E)-3-(4-ethoxyphenyl)prop-2-enyl]piperazine
CID 95457646
1-[(E)-3-(3-chloro-4-methoxyphenyl)prop-2-enyl]piperazine
CID 82304677
1-[(E)-3-(3-ethoxyphenyl)prop-2-enyl]-1,4-diazepane
CID 95466896
4-[(E)-3-(4-methylpiperazin-1-yl)prop-1-enyl]pyridin-2-amine
CID 176675924
1-[(Z)-3-[3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 117269353
1-[3-(4-fluorophenyl)prop-2-enyl]-1,4-diazepane
CID 91941402
2-(piperazin-1-ylmethyl)pyridine-4-carbaldehyde
CID 84778549
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295
2-[(E)-3-piperazin-1-ylprop-1-enyl]phenol
CID 14070346
1-[3-(3,4-difluorophenyl)prop-2-enyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 136543268
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
ethane;1-(4-ethenyl-2-pyridinyl)piperazine
CID 142364779

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine?
The IUPAC name of ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine (CID 142200369) is ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine.
What is the SMILES notation for ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine?
The canonical SMILES for ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine is CC.CCC1=CC(c2cc(/C=C/CN3CCNCC3)ccn2)NC=C1.
What is the InChIKey of ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine?
The InChIKey is UBOGJSSGIPOCQN-BJILWQEISA-N. The full InChI is InChI=1S/C19H26N4.C2H6/c1-2-16-5-7-21-18(14-16)19-15-17(6-8-22-19)4-3-11-23-12-9-20-10-13-23;1-2/h3-8,14-15,18,20-21H,2,9-13H2,1H3;1-2H3/b4-3+;.
What are the key properties of ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine?
ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine has a molecular weight of 340.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(E)-3-[2-(4-ethyl-1,2-dihydropyridin-2-yl)-4-pyridinyl]prop-2-enyl]piperazine is sourced from PubChem (CID 142200369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).