ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine

C13H25N3 — CID 166462638

IUPACethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine
SMILESCC.CCN1CCN(CC2=CCC=N2)CC1
InChIInChI=1S/C11H19N3.C2H6/c1-2-13-6-8-14(9-7-13)10-11-4-3-5-12-11;1-2/h4-5H,2-3,6-10H2,1H3;1-2H3
InChIKeyCTFGMOIDHJLGOT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.01
Rot. Bonds3

About ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine

ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine (PubChem CID 166462638) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine.

Molecular Properties

Compound Nameethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine
PubChem CID166462638
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Nameethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine
SMILESCC.CCN1CCN(CC2=CCC=N2)CC1
InChIInChI=1S/C11H19N3.C2H6/c1-2-13-6-8-14(9-7-13)10-11-4-3-5-12-11;1-2/h4-5H,2-3,6-10H2,1H3;1-2H3
InChIKeyCTFGMOIDHJLGOT-UHFFFAOYSA-N
XLogP2.01
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(Pyrrolidin-1-ylmethyl)-3,4-dihydropyridine
CID 89122365
1-(3,4-Dihydropyridin-6-ylmethyl)-4-methylpiperazine
CID 122519367
1-(2,3-Dihydropyridin-4-yl)-4-methylpiperazine
CID 123139522
(E)-N-[(Z)-but-2-en-2-yl]-3-piperazin-1-ylpent-3-en-1-imine
CID 134406002
2-methyl-6-[(4-propylpiperazin-1-yl)methyl]-4H-azepine
CID 134406208
1-(3,4-dihydropyridin-6-yl)-N,N-dimethylmethanamine
CID 138464061
Ethane;6-methyl-3,5,7,8-tetrahydropyrazino[1,2-b]pyridazine
CID 144720852
(Z)-N-[(Z)-4,4-dimethylpent-2-en-3-yl]-2-[(4-methylpiperazin-1-yl)methyl]but-2-en-1-imine
CID 145198155
N-methyl-N-(3H-pyrrol-5-ylmethyl)ethanamine
CID 145467219
1-(5-methyl-3H-pyrrol-4-yl)-4-propylpiperazine
CID 156752524
(6E)-6-ethylidene-1,5-dimethyl-2,5-dihydropyrazine
CID 166645957
1-(2,3-Dihydropyridin-5-yl)-4-propan-2-ylpiperazine
CID 170259163

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine?
The IUPAC name of ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine (CID 166462638) is ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine.
What is the SMILES notation for ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine?
The canonical SMILES for ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine is CC.CCN1CCN(CC2=CCC=N2)CC1.
What is the InChIKey of ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine?
The InChIKey is CTFGMOIDHJLGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3.C2H6/c1-2-13-6-8-14(9-7-13)10-11-4-3-5-12-11;1-2/h4-5H,2-3,6-10H2,1H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine?
ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine has a molecular weight of 223.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(3H-pyrrol-5-ylmethyl)piperazine is sourced from PubChem (CID 166462638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).