5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine

C15H23N3 — CID 64933586

IUPAC5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
SMILESCC1CNC(C2CC2)CN1C(C)c1ccncc1
InChIInChI=1S/C15H23N3/c1-11-9-17-15(14-3-4-14)10-18(11)12(2)13-5-7-16-8-6-13/h5-8,11-12,14-15,17H,3-4,9-10H2,1-2H3
InChIKeyUEFJOTYABSXZNF-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.21
Rot. Bonds3

About 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine

5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine (PubChem CID 64933586) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
PubChem CID64933586
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
SMILESCC1CNC(C2CC2)CN1C(C)c1ccncc1
InChIInChI=1S/C15H23N3/c1-11-9-17-15(14-3-4-14)10-18(11)12(2)13-5-7-16-8-6-13/h5-8,11-12,14-15,17H,3-4,9-10H2,1-2H3
InChIKeyUEFJOTYABSXZNF-UHFFFAOYSA-N
XLogP2.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine?
The IUPAC name of 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine (CID 64933586) is 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine.
What is the SMILES notation for 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine?
The canonical SMILES for 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine is CC1CNC(C2CC2)CN1C(C)c1ccncc1.
What is the InChIKey of 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine?
The InChIKey is UEFJOTYABSXZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11-9-17-15(14-3-4-14)10-18(11)12(2)13-5-7-16-8-6-13/h5-8,11-12,14-15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine?
5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine has a molecular weight of 245.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine is sourced from PubChem (CID 64933586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).