3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine

C13H19N3 — CID 64920015

IUPAC3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
SMILESCC1(C2CC2)CN(c2cccnc2)CCN1
InChIInChI=1S/C13H19N3/c1-13(11-4-5-11)10-16(8-7-15-13)12-3-2-6-14-9-12/h2-3,6,9,11,15H,4-5,7-8,10H2,1H3
InChIKeyHZWKRYJWDQHAFY-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.66
Rot. Bonds2

About 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine

3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine (PubChem CID 64920015) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
PubChem CID64920015
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine
SMILESCC1(C2CC2)CN(c2cccnc2)CCN1
InChIInChI=1S/C13H19N3/c1-13(11-4-5-11)10-16(8-7-15-13)12-3-2-6-14-9-12/h2-3,6,9,11,15H,4-5,7-8,10H2,1H3
InChIKeyHZWKRYJWDQHAFY-UHFFFAOYSA-N
XLogP1.66
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine (CID 64920015) is 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine is CC1(C2CC2)CN(c2cccnc2)CCN1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine?
The InChIKey is HZWKRYJWDQHAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-13(11-4-5-11)10-16(8-7-15-13)12-3-2-6-14-9-12/h2-3,6,9,11,15H,4-5,7-8,10H2,1H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine?
3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine has a molecular weight of 217.32 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-pyridin-3-ylpiperazine is sourced from PubChem (CID 64920015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).