(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine

C16H27N3 — CID 163528665

IUPAC(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
SMILESC[C@@H]1CN(c2ccccn2)C[C@H](C)N1CC(C)(C)C
InChIInChI=1S/C16H27N3/c1-13-10-18(15-8-6-7-9-17-15)11-14(2)19(13)12-16(3,4)5/h6-9,13-14H,10-12H2,1-5H3/t13-,14+
InChIKeyHHNJCBVAILQFRG-OKILXGFUSA-N
MW261.41 g/mol
LogP3.03
Rot. Bonds2

About (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine

(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine (PubChem CID 163528665) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
PubChem CID163528665
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine
SMILESC[C@@H]1CN(c2ccccn2)C[C@H](C)N1CC(C)(C)C
InChIInChI=1S/C16H27N3/c1-13-10-18(15-8-6-7-9-17-15)11-14(2)19(13)12-16(3,4)5/h6-9,13-14H,10-12H2,1-5H3/t13-,14+
InChIKeyHHNJCBVAILQFRG-OKILXGFUSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,6R)-4-(4-tert-butyl-2-pyridinyl)-1-(2,2-dimethylpropyl)-2,6-dimethylpiperazine
CID 163807662
6,6-difluoro-3-pyridin-2-yl-3-azabicyclo[3.1.0]hexane
CID 175933768
2-(4-bromo-3-methylpiperidin-1-yl)pyridine
CID 114682742
2-[3-(triazol-1-yl)azetidin-1-yl]pyridine
CID 121183762
tert-butyl 2-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 74946314
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
2-methyl-1-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]propan-2-ol
CID 110932614
N,3,3-trimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)butan-2-amine
CID 66452314
tert-butyl-dimethyl-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]oxysilane
CID 141180925

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine?
The IUPAC name of (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine (CID 163528665) is (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine is C[C@@H]1CN(c2ccccn2)C[C@H](C)N1CC(C)(C)C.
What is the InChIKey of (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine?
The InChIKey is HHNJCBVAILQFRG-OKILXGFUSA-N. The full InChI is InChI=1S/C16H27N3/c1-13-10-18(15-8-6-7-9-17-15)11-14(2)19(13)12-16(3,4)5/h6-9,13-14H,10-12H2,1-5H3/t13-,14+.
What are the key properties of (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine?
(2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine has a molecular weight of 261.41 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-1-(2,2-dimethylpropyl)-2,6-dimethyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 163528665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).