(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine

C20H35N3 — CID 163807662

IUPAC(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H](C)N1CC(C)(C)C
InChIInChI=1S/C20H35N3/c1-15-12-22(13-16(2)23(15)14-19(3,4)5)18-11-17(9-10-21-18)20(6,7)8/h9-11,15-16H,12-14H2,1-8H3/t15-,16+
InChIKeyYLYJMRIHAPKUKD-IYBDPMFKSA-N
MW317.52 g/mol
LogP4.32
Rot. Bonds2

About (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine

(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine (PubChem CID 163807662) has the molecular formula C20H35N3 and a molecular weight of 317.52 g/mol. Its IUPAC name is (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine.

Molecular Properties

Compound Name(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
PubChem CID163807662
Molecular FormulaC20H35N3
Molecular Weight317.52 g/mol
Exact Mass317.28
IUPAC Name(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
SMILESC[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H](C)N1CC(C)(C)C
InChIInChI=1S/C20H35N3/c1-15-12-22(13-16(2)23(15)14-19(3,4)5)18-11-17(9-10-21-18)20(6,7)8/h9-11,15-16H,12-14H2,1-8H3/t15-,16+
InChIKeyYLYJMRIHAPKUKD-IYBDPMFKSA-N
XLogP4.32
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.52
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
CID 163528665
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-2,6-dimethyl-1-[2-(2-piperidin-1-ylethoxy)ethyl]piperazine
CID 163466269
N-tert-butyl-1-(4-tert-butyl-2-pyridinyl)azetidin-3-amine
CID 126654407
2-(3,4,5-trimethylpiperazin-1-yl)pyridin-4-amine
CID 114543057
2-(azetidin-1-yl)-4-(2-methylbutan-2-yl)pyridine
CID 71155012
4-bromo-2-(3-methylazetidin-1-yl)pyridine
CID 102820786
N-[5-[2-[3-(tert-butylamino)azetidin-1-yl]-4-pyridinyl]-2,5-dimethylhexan-2-yl]-1-[5-(3,3-dimethylbutyl)-2-pyridinyl]azetidin-3-amine
CID 167241662
2-[1-(4-methyl-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164586756
2-(3-bromo-4-methylpyrrolidin-1-yl)-4-methylpyridine
CID 130948414
tris(4-tert-butyl-2-pyrazol-1-ylpyridine);cobalt
CID 157199810
N-[[2-(4-ethyl-3-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63619592
2-[1-(4-iodo-2-pyridinyl)azetidin-3-yl]propan-2-ol
CID 164587109

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine?
The IUPAC name of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine (CID 163807662) is (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine.
What is the SMILES notation for (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine?
The canonical SMILES for (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine is C[C@@H]1CN(c2cc(C(C)(C)C)ccn2)C[C@H](C)N1CC(C)(C)C.
What is the InChIKey of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine?
The InChIKey is YLYJMRIHAPKUKD-IYBDPMFKSA-N. The full InChI is InChI=1S/C20H35N3/c1-15-12-22(13-16(2)23(15)14-19(3,4)5)18-11-17(9-10-21-18)20(6,7)8/h9-11,15-16H,12-14H2,1-8H3/t15-,16+.
What are the key properties of (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine?
(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine has a molecular weight of 317.52 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine is sourced from PubChem (CID 163807662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).