1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine

C15H19N3 — CID 12997400

IUPAC1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1
InChIInChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
InChIKeyDCDSVYQQSBWIRG-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.34
Rot. Bonds3

About 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine

1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine (PubChem CID 12997400) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine
PubChem CID12997400
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine
SMILESc1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1
InChIInChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2
InChIKeyDCDSVYQQSBWIRG-UHFFFAOYSA-N
XLogP2.34
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine?
The IUPAC name of 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine (CID 12997400) is 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine?
The canonical SMILES for 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine is c1ccc(N2CCN(Cc3ccc[nH]3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine?
The InChIKey is DCDSVYQQSBWIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-2-6-15(7-3-1)18-11-9-17(10-12-18)13-14-5-4-8-16-14/h1-8,16H,9-13H2.
What are the key properties of 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine?
1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine has a molecular weight of 241.34 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(1H-pyrrol-2-ylmethyl)piperazine is sourced from PubChem (CID 12997400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).