1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine

C16H27N3 — CID 58563498

IUPAC1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
SMILESCC(C)c1cncc(N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H27N3/c1-13(2)14-10-15(12-17-11-14)18-6-8-19(9-7-18)16(3,4)5/h10-13H,6-9H2,1-5H3
InChIKeyMKYJVAAQYQZHLF-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.13
Rot. Bonds2

About 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine

1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine (PubChem CID 58563498) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
PubChem CID58563498
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine
SMILESCC(C)c1cncc(N2CCN(C(C)(C)C)CC2)c1
InChIInChI=1S/C16H27N3/c1-13(2)14-10-15(12-17-11-14)18-6-8-19(9-7-18)16(3,4)5/h10-13H,6-9H2,1-5H3
InChIKeyMKYJVAAQYQZHLF-UHFFFAOYSA-N
XLogP3.13
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
The IUPAC name of 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine (CID 58563498) is 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine.
What is the SMILES notation for 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
The canonical SMILES for 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine is CC(C)c1cncc(N2CCN(C(C)(C)C)CC2)c1.
What is the InChIKey of 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
The InChIKey is MKYJVAAQYQZHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)14-10-15(12-17-11-14)18-6-8-19(9-7-18)16(3,4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine?
1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(5-propan-2-yl-3-pyridinyl)piperazine is sourced from PubChem (CID 58563498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).