5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine

C17H29N3 — CID 64848923

IUPAC5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCCC1CNC(CC(C)C)CN1Cc1ccccn1
InChIInChI=1S/C17H29N3/c1-4-7-17-11-19-16(10-14(2)3)13-20(17)12-15-8-5-6-9-18-15/h5-6,8-9,14,16-17,19H,4,7,10-13H2,1-3H3
InChIKeyJUIIMTSOTJYDTB-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds6

About 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine

5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64848923) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64848923
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCCC1CNC(CC(C)C)CN1Cc1ccccn1
InChIInChI=1S/C17H29N3/c1-4-7-17-11-19-16(10-14(2)3)13-20(17)12-15-8-5-6-9-18-15/h5-6,8-9,14,16-17,19H,4,7,10-13H2,1-3H3
InChIKeyJUIIMTSOTJYDTB-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine (CID 64848923) is 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine is CCCC1CNC(CC(C)C)CN1Cc1ccccn1.
What is the InChIKey of 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is JUIIMTSOTJYDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-7-17-11-19-16(10-14(2)3)13-20(17)12-15-8-5-6-9-18-15/h5-6,8-9,14,16-17,19H,4,7,10-13H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine?
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64848923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).