ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine

C14H27N3 — CID 142367512

IUPACethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine
SMILESCC.CC1=CC(CCCN2CCNCC2)=NC1
InChIInChI=1S/C12H21N3.C2H6/c1-11-9-12(14-10-11)3-2-6-15-7-4-13-5-8-15;1-2/h9,13H,2-8,10H2,1H3;1-2H3
InChIKeyCJVQVSNTKWUBRV-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.10
Rot. Bonds4

About ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine

ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine (PubChem CID 142367512) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine.

Molecular Properties

Compound Nameethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine
PubChem CID142367512
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Nameethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine
SMILESCC.CC1=CC(CCCN2CCNCC2)=NC1
InChIInChI=1S/C12H21N3.C2H6/c1-11-9-12(14-10-11)3-2-6-15-7-4-13-5-8-15;1-2/h9,13H,2-8,10H2,1H3;1-2H3
InChIKeyCJVQVSNTKWUBRV-UHFFFAOYSA-N
XLogP2.10
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4Z)-4-(2-fluorobutylidene)-N-methylpiperidin-3-imine
CID 123919585
1-(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)piperazin-1-ium
CID 20672907
5-Propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,2-c]pyridine
CID 57530991
4-(5-methyl-2H-pyrrol-3-yl)piperidine
CID 58578256
2,3,5,6,7,8-Hexahydro-1,6-naphthyridine
CID 91152467
1-(6-But-1-en-2-yl-2,3-dihydropyridin-5-yl)piperazine
CID 117852720
N'-methyl-N'-[[5-(2-methylpropyl)-2H-pyrrol-4-yl]methyl]ethane-1,2-diamine
CID 121442676
N'-methyl-N'-[(5-propyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442677
N'-methyl-N'-[(5-methyl-2H-pyrrol-4-yl)methyl]ethane-1,2-diamine
CID 121442679
(4Z)-4-propylidenepiperidin-3-imine
CID 123275226
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
(4Z)-4-ethylidene-N-methylpiperidin-3-imine
CID 123514205

Frequently Asked Questions

What is the IUPAC name of ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine?
The IUPAC name of ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine (CID 142367512) is ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine.
What is the SMILES notation for ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine?
The canonical SMILES for ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine is CC.CC1=CC(CCCN2CCNCC2)=NC1.
What is the InChIKey of ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine?
The InChIKey is CJVQVSNTKWUBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3.C2H6/c1-11-9-12(14-10-11)3-2-6-15-7-4-13-5-8-15;1-2/h9,13H,2-8,10H2,1H3;1-2H3.
What are the key properties of ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine?
ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[3-(3-methyl-2H-pyrrol-5-yl)propyl]piperazine is sourced from PubChem (CID 142367512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).