ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine

C16H31N3 — CID 142390176

IUPACethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
SMILESCC.CN1CCN(CCCCCC2=NCC=C2)CC1
InChIInChI=1S/C14H25N3.C2H6/c1-16-10-12-17(13-11-16)9-4-2-3-6-14-7-5-8-15-14;1-2/h5,7H,2-4,6,8-13H2,1H3;1-2H3
InChIKeyQBAAWEOHHNBKMN-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.83
Rot. Bonds6

About ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine

ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine (PubChem CID 142390176) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine.

Molecular Properties

Compound Nameethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
PubChem CID142390176
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Nameethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
SMILESCC.CN1CCN(CCCCCC2=NCC=C2)CC1
InChIInChI=1S/C14H25N3.C2H6/c1-16-10-12-17(13-11-16)9-4-2-3-6-14-7-5-8-15-14;1-2/h5,7H,2-4,6,8-13H2,1H3;1-2H3
InChIKeyQBAAWEOHHNBKMN-UHFFFAOYSA-N
XLogP2.83
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Piperidin-1-yl-6-prop-1-enyl-2,3,4,5-tetrahydropyridine
CID 123144126
4-(4-Methylpiperazin-1-yl)cyclohex-2-en-1-imine
CID 123877561
ethane;2-[(3Z)-3-ethylidene-4-prop-1-en-2-yliminopiperidin-1-yl]-N,N-dimethylethanamine
CID 145198032
(2Z)-N-methyl-1-(1-propan-2-ylpiperidin-2-yl)penta-2,4-dien-1-imine
CID 154677328
8-[4-[(5Z)-hepta-1,5-dien-4-yl]piperazin-1-yl]-N,2-dimethyloct-2-en-4-imine
CID 170246685
N-ethyl-9-(4-methylpiperazin-1-yl)non-1-en-3-imine
CID 170246973
1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine
CID 142390177

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
The IUPAC name of ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine (CID 142390176) is ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine.
What is the SMILES notation for ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
The canonical SMILES for ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine is CC.CN1CCN(CCCCCC2=NCC=C2)CC1.
What is the InChIKey of ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
The InChIKey is QBAAWEOHHNBKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.C2H6/c1-16-10-12-17(13-11-16)9-4-2-3-6-14-7-5-8-15-14;1-2/h5,7H,2-4,6,8-13H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine?
ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine has a molecular weight of 265.44 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-[5-(2H-pyrrol-5-yl)pentyl]piperazine is sourced from PubChem (CID 142390176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).