2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine

C18H29N3 — CID 102879656

IUPAC2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1cncc(CN2CC(C3CC3)NCC2C(C)(C)C)c1
InChIInChI=1S/C18H29N3/c1-13-7-14(9-19-8-13)11-21-12-16(15-5-6-15)20-10-17(21)18(2,3)4/h7-9,15-17,20H,5-6,10-12H2,1-4H3
InChIKeySSYQANZYWREHRB-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.99
Rot. Bonds3

About 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine

2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine (PubChem CID 102879656) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
PubChem CID102879656
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine
SMILESCc1cncc(CN2CC(C3CC3)NCC2C(C)(C)C)c1
InChIInChI=1S/C18H29N3/c1-13-7-14(9-19-8-13)11-21-12-16(15-5-6-15)20-10-17(21)18(2,3)4/h7-9,15-17,20H,5-6,10-12H2,1-4H3
InChIKeySSYQANZYWREHRB-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
The IUPAC name of 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine (CID 102879656) is 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine.
What is the SMILES notation for 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
The canonical SMILES for 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine is Cc1cncc(CN2CC(C3CC3)NCC2C(C)(C)C)c1.
What is the InChIKey of 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
The InChIKey is SSYQANZYWREHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13-7-14(9-19-8-13)11-21-12-16(15-5-6-15)20-10-17(21)18(2,3)4/h7-9,15-17,20H,5-6,10-12H2,1-4H3.
What are the key properties of 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine?
2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-cyclopropyl-1-[(5-methyl-3-pyridinyl)methyl]piperazine is sourced from PubChem (CID 102879656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).