1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine

C16H27N3S — CID 95867470

IUPAC1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine
SMILESCS[C@H](C)CCN1CCN(c2cc(C)nc(C)c2)CC1
InChIInChI=1S/C16H27N3S/c1-13-11-16(12-14(2)17-13)19-9-7-18(8-10-19)6-5-15(3)20-4/h11-12,15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyBBKHNRAJAWRRPQ-OAHLLOKOSA-N
MW293.48 g/mol
LogP2.96
Rot. Bonds5

About 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine

1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine (PubChem CID 95867470) has the molecular formula C16H27N3S and a molecular weight of 293.48 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine
PubChem CID95867470
Molecular FormulaC16H27N3S
Molecular Weight293.48 g/mol
Exact Mass293.19
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine
SMILESCS[C@H](C)CCN1CCN(c2cc(C)nc(C)c2)CC1
InChIInChI=1S/C16H27N3S/c1-13-11-16(12-14(2)17-13)19-9-7-18(8-10-19)6-5-15(3)20-4/h11-12,15H,5-10H2,1-4H3/t15-/m1/s1
InChIKeyBBKHNRAJAWRRPQ-OAHLLOKOSA-N
XLogP2.96
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylsulfanylbutyl)pyrrolidine
CID 67812295
1-[(3-methylphenyl)methyl]-4-(3-methylsulfanylbutyl)piperazine
CID 56889495
1-(3-methylsulfanylbutyl)-4-(1-methylsulfanylethyl)piperazine
CID 138467065
4-(2,6-dimethyl-4-pyridinyl)thiomorpholine
CID 143551760
1-[(3R)-3-(5-methylfuran-2-yl)butyl]-4-(2-methyl-4-pyridinyl)-1,4-diazepane
CID 99927335
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine
CID 95715719
1-(2,6-dimethyl-4-pyridinyl)-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 99932126
2-methyl-3-[4-(2-methyl-4-pyridinyl)piperazin-1-yl]propan-1-amine
CID 113482474
2-methyl-6-[4-(3-methylbutyl)piperazin-1-yl]-1H-indole;molecular hydrogen
CID 178164940
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
3-[4-(3-methylbutyl)piperazin-1-yl]-6-methylsulfanylpyridazine
CID 56786373
ethane;1-(3-ethylphenyl)-4-(3-methylbutyl)piperazine
CID 176934415

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine (CID 95867470) is 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine is CS[C@H](C)CCN1CCN(c2cc(C)nc(C)c2)CC1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine?
The InChIKey is BBKHNRAJAWRRPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27N3S/c1-13-11-16(12-14(2)17-13)19-9-7-18(8-10-19)6-5-15(3)20-4/h11-12,15H,5-10H2,1-4H3/t15-/m1/s1.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine?
1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine has a molecular weight of 293.48 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)-4-[(3R)-3-methylsulfanylbutyl]piperazine is sourced from PubChem (CID 95867470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).