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

C13H23N3 — CID 70967312

IUPAC1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine
SMILESCC(C)N1CCN(CCC2C=CN=C2)CC1
InChIInChI=1S/C13H23N3/c1-12(2)16-9-7-15(8-10-16)6-4-13-3-5-14-11-13/h3,5,11-13H,4,6-10H2,1-2H3
InChIKeyNTCCYFBHHMKDPR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.62
Rot. Bonds4

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

1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine (PubChem CID 70967312) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine
PubChem CID70967312
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine
SMILESCC(C)N1CCN(CCC2C=CN=C2)CC1
InChIInChI=1S/C13H23N3/c1-12(2)16-9-7-15(8-10-16)6-4-13-3-5-14-11-13/h3,5,11-13H,4,6-10H2,1-2H3
InChIKeyNTCCYFBHHMKDPR-UHFFFAOYSA-N
XLogP1.62
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.62
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-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine (CID 70967312) is 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine is CC(C)N1CCN(CCC2C=CN=C2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
The InChIKey is NTCCYFBHHMKDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-12(2)16-9-7-15(8-10-16)6-4-13-3-5-14-11-13/h3,5,11-13H,4,6-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine?
1-propan-2-yl-4-[2-(3H-pyrrol-3-yl)ethyl]piperazine has a molecular weight of 221.35 g/mol, XLogP of 1.62, 4 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-[2-(3H-pyrrol-3-yl)ethyl]piperazine is sourced from PubChem (CID 70967312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).