5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine

C16H25N3 — CID 107586923

IUPAC5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
SMILESCc1cncc(N2CC(C3CC3)NCC2C(C)C)c1
InChIInChI=1S/C16H25N3/c1-11(2)16-9-18-15(13-4-5-13)10-19(16)14-6-12(3)7-17-8-14/h6-8,11,13,15-16,18H,4-5,9-10H2,1-3H3
InChIKeyMRKXKCOKHJFEFL-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.60
Rot. Bonds3

About 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine

5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine (PubChem CID 107586923) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
PubChem CID107586923
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine
SMILESCc1cncc(N2CC(C3CC3)NCC2C(C)C)c1
InChIInChI=1S/C16H25N3/c1-11(2)16-9-18-15(13-4-5-13)10-19(16)14-6-12(3)7-17-8-14/h6-8,11,13,15-16,18H,4-5,9-10H2,1-3H3
InChIKeyMRKXKCOKHJFEFL-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine?
The IUPAC name of 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine (CID 107586923) is 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine is Cc1cncc(N2CC(C3CC3)NCC2C(C)C)c1.
What is the InChIKey of 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine?
The InChIKey is MRKXKCOKHJFEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)16-9-18-15(13-4-5-13)10-19(16)14-6-12(3)7-17-8-14/h6-8,11,13,15-16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine?
5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine has a molecular weight of 259.40 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(5-methyl-3-pyridinyl)-2-propan-2-ylpiperazine is sourced from PubChem (CID 107586923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).