1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine

C18H31N3 — CID 59414393

IUPAC1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc([C@@H](C)C(C)(C)C)cn2)CC1
InChIInChI=1S/C18H31N3/c1-14(2)20-9-11-21(12-10-20)17-8-7-16(13-19-17)15(3)18(4,5)6/h7-8,13-15H,9-12H2,1-6H3/t15-/m1/s1
InChIKeyBJRHRWXXECJLRB-OAHLLOKOSA-N
MW289.47 g/mol
LogP3.76
Rot. Bonds3

About 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine

1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine (PubChem CID 59414393) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
PubChem CID59414393
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc([C@@H](C)C(C)(C)C)cn2)CC1
InChIInChI=1S/C18H31N3/c1-14(2)20-9-11-21(12-10-20)17-8-7-16(13-19-17)15(3)18(4,5)6/h7-8,13-15H,9-12H2,1-6H3/t15-/m1/s1
InChIKeyBJRHRWXXECJLRB-OAHLLOKOSA-N
XLogP3.76
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-1,4-diazepane
CID 177124106
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
1-[5-(4-chlorophenyl)-2-pyridinyl]-4-propan-2-ylpiperazine
CID 15951315
N'-hydroxy-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboximidamide
CID 43585296
(1S)-1-(6-piperidin-1-yl-3-pyridinyl)ethanamine
CID 79022376
(1S)-1-[6-(azetidin-1-yl)-3-pyridinyl]ethanamine
CID 130547362
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
2-(4-propan-2-ylpiperazin-1-yl)-5-[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]pyrazine
CID 58006688
2-methyl-N-[3-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]oxy]propyl]propan-2-amine
CID 155769124
1-(5-tert-butylsulfanyl-4-methyl-2-pyridinyl)-4-propan-2-ylpiperazine
CID 102545681
4-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]benzaldehyde
CID 87286041
5-propan-2-yl-2-[4-[2-[(3R)-1-propan-2-ylpiperidin-3-yl]ethyl]piperidin-1-yl]pyridine
CID 176934902

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine (CID 59414393) is 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(c2ccc([C@@H](C)C(C)(C)C)cn2)CC1.
What is the InChIKey of 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine?
The InChIKey is BJRHRWXXECJLRB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)20-9-11-21(12-10-20)17-8-7-16(13-19-17)15(3)18(4,5)6/h7-8,13-15H,9-12H2,1-6H3/t15-/m1/s1.
What are the key properties of 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine?
1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine has a molecular weight of 289.47 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2S)-3,3-dimethylbutan-2-yl]-2-pyridinyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 59414393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).