2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine

C18H26N4 — CID 84752058

IUPAC2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESCC(CN)(Cc1ccc[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N4/c1-18(15-19,14-16-6-5-9-20-16)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,20H,10-15,19H2,1H3
InChIKeyISXFXQCRUIUMQB-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.10
Rot. Bonds5

About 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine

2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine (PubChem CID 84752058) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine
PubChem CID84752058
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine
SMILESCC(CN)(Cc1ccc[nH]1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H26N4/c1-18(15-19,14-16-6-5-9-20-16)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,20H,10-15,19H2,1H3
InChIKeyISXFXQCRUIUMQB-UHFFFAOYSA-N
XLogP2.10
TPSA48.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine?
The IUPAC name of 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine (CID 84752058) is 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine.
What is the SMILES notation for 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine?
The canonical SMILES for 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine is CC(CN)(Cc1ccc[nH]1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine?
The InChIKey is ISXFXQCRUIUMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-18(15-19,14-16-6-5-9-20-16)22-12-10-21(11-13-22)17-7-3-2-4-8-17/h2-9,20H,10-15,19H2,1H3.
What are the key properties of 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine?
2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-phenylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-amine is sourced from PubChem (CID 84752058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).