1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine

C16H27N3 — CID 138627412

IUPAC1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)(C)C)C(c2ccccn2)C1
InChIInChI=1S/C16H27N3/c1-13(2)18-10-11-19(16(3,4)5)15(12-18)14-8-6-7-9-17-14/h6-9,13,15H,10-12H2,1-5H3
InChIKeyJVLGVBJQCXSUJL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.95
Rot. Bonds2

About 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine

1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine (PubChem CID 138627412) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine
PubChem CID138627412
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine
SMILESCC(C)N1CCN(C(C)(C)C)C(c2ccccn2)C1
InChIInChI=1S/C16H27N3/c1-13(2)18-10-11-19(16(3,4)5)15(12-18)14-8-6-7-9-17-14/h6-9,13,15H,10-12H2,1-5H3
InChIKeyJVLGVBJQCXSUJL-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-phenyl-4-propan-2-ylpiperazine
CID 138492479
2-[(2R)-1-[(R)-tert-butylsulfinyl]aziridin-2-yl]pyridine
CID 134984084
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyridin-2-amine
CID 61209300
2-[1-(2-methylpropyl)piperidin-2-yl]pyridine
CID 102538970
2-(1-propan-2-ylpiperidin-4-yl)-1-(2-pyridin-2-ylpiperidin-1-yl)ethanone
CID 72861855
N-methyl-2-[(2R)-1-(3-methyl-2-pyridinyl)-4-propan-2-ylpiperazin-2-yl]ethanamine
CID 167173026
(10S)-12-propan-2-yl-8-thia-1,3,12-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-triene
CID 167173746
1-ethyl-2-pyridin-2-yl-1,4-diazepane
CID 82283196
(9R)-11-propan-2-yl-8-oxa-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 167173149
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
CID 166501051
2-(1-tert-butylazetidin-3-yl)oxypyridine
CID 126954855

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine?
The IUPAC name of 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine (CID 138627412) is 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine?
The canonical SMILES for 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine is CC(C)N1CCN(C(C)(C)C)C(c2ccccn2)C1.
What is the InChIKey of 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine?
The InChIKey is JVLGVBJQCXSUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-13(2)18-10-11-19(16(3,4)5)15(12-18)14-8-6-7-9-17-14/h6-9,13,15H,10-12H2,1-5H3.
What are the key properties of 1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine?
1-tert-butyl-4-propan-2-yl-2-pyridin-2-ylpiperazine has a molecular weight of 261.41 g/mol, XLogP of 2.95, 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-propan-2-yl-2-pyridin-2-ylpiperazine is sourced from PubChem (CID 138627412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).