2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine

C16H23N3 — CID 64861091

IUPAC2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
SMILESc1cncc(CN2CC(C3CC3)NCC2C2CC2)c1
InChIInChI=1S/C16H23N3/c1-2-12(8-17-7-1)10-19-11-15(13-3-4-13)18-9-16(19)14-5-6-14/h1-2,7-8,13-16,18H,3-6,9-11H2
InChIKeyMRYWXZMEOPUAMP-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.04
Rot. Bonds4

About 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine

2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64861091) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64861091
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine
SMILESc1cncc(CN2CC(C3CC3)NCC2C2CC2)c1
InChIInChI=1S/C16H23N3/c1-2-12(8-17-7-1)10-19-11-15(13-3-4-13)18-9-16(19)14-5-6-14/h1-2,7-8,13-16,18H,3-6,9-11H2
InChIKeyMRYWXZMEOPUAMP-UHFFFAOYSA-N
XLogP2.04
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine (CID 64861091) is 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine is c1cncc(CN2CC(C3CC3)NCC2C2CC2)c1.
What is the InChIKey of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is MRYWXZMEOPUAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-2-12(8-17-7-1)10-19-11-15(13-3-4-13)18-9-16(19)14-5-6-14/h1-2,7-8,13-16,18H,3-6,9-11H2.
What are the key properties of 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine?
2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 257.38 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopropyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64861091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).