(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine

C15H25N3 — CID 135253699

IUPAC(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine
SMILESC[C@@H]1CN(c2ccc(C(C)(C)C)nc2)C[C@H](C)N1
InChIInChI=1S/C15H25N3/c1-11-9-18(10-12(2)17-11)13-6-7-14(16-8-13)15(3,4)5/h6-8,11-12,17H,9-10H2,1-5H3/t11-,12+
InChIKeyFPVLEPMUABHDTL-TXEJJXNPSA-N
MW247.39 g/mol
LogP2.57
Rot. Bonds1

About (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine

(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine (PubChem CID 135253699) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine.

Molecular Properties

Compound Name(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine
PubChem CID135253699
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine
SMILESC[C@@H]1CN(c2ccc(C(C)(C)C)nc2)C[C@H](C)N1
InChIInChI=1S/C15H25N3/c1-11-9-18(10-12(2)17-11)13-6-7-14(16-8-13)15(3,4)5/h6-8,11-12,17H,9-10H2,1-5H3/t11-,12+
InChIKeyFPVLEPMUABHDTL-TXEJJXNPSA-N
XLogP2.57
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Anabasine
CID 205586
(+-)-Anabasine
CID 2181
5,5'-Dimethyl-2,2'-bipyridyl
CID 15664
Betahistine
CID 2366
4,4'-Dimethyl-2,2'-bipyridine
CID 14338
Tc-2216
CID 10176607
Bis(2-pyridylmethyl)amine
CID 73759
2-(2-(1-Piperidinyl)ethyl)pyridine
CID 79548
3-((2R)-Piperidin-2-Yl)Pyridine
CID 641266
Pyridine, 2-(2-(methylamino)ethyl)-, hydrochloride
CID 203875
1-(4-Pyridyl)piperazine
CID 70517
N-methyl-1-(pyridin-2-yl)methanamine
CID 88757

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine?
The IUPAC name of (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine (CID 135253699) is (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine.
What is the SMILES notation for (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine?
The canonical SMILES for (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine is C[C@@H]1CN(c2ccc(C(C)(C)C)nc2)C[C@H](C)N1.
What is the InChIKey of (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine?
The InChIKey is FPVLEPMUABHDTL-TXEJJXNPSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-9-18(10-12(2)17-11)13-6-7-14(16-8-13)15(3,4)5/h6-8,11-12,17H,9-10H2,1-5H3/t11-,12+.
What are the key properties of (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine?
(3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine has a molecular weight of 247.39 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-(6-tert-butyl-3-pyridinyl)-3,5-dimethylpiperazine is sourced from PubChem (CID 135253699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).