1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine

C11H19N3 — CID 58142763

IUPAC1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
SMILESCC(C)N1CCN(C2=NC=CC2)CC1
InChIInChI=1S/C11H19N3/c1-10(2)13-6-8-14(9-7-13)11-4-3-5-12-11/h3,5,10H,4,6-9H2,1-2H3
InChIKeyCPEAOOVCXMDKMJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.33
Rot. Bonds1

About 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine

1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine (PubChem CID 58142763) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
PubChem CID58142763
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine
SMILESCC(C)N1CCN(C2=NC=CC2)CC1
InChIInChI=1S/C11H19N3/c1-10(2)13-6-8-14(9-7-13)11-4-3-5-12-11/h3,5,10H,4,6-9H2,1-2H3
InChIKeyCPEAOOVCXMDKMJ-UHFFFAOYSA-N
XLogP1.33
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine (CID 58142763) is 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine is CC(C)N1CCN(C2=NC=CC2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine?
The InChIKey is CPEAOOVCXMDKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-10(2)13-6-8-14(9-7-13)11-4-3-5-12-11/h3,5,10H,4,6-9H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine?
1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine has a molecular weight of 193.29 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(3H-pyrrol-2-yl)piperazine is sourced from PubChem (CID 58142763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).