1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine

C18H24N4S — CID 162408039

IUPAC1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine
SMILESCc1ccnc(SCCN2CCN(c3cc(C)ccn3)CC2)c1
InChIInChI=1S/C18H24N4S/c1-15-3-5-19-17(13-15)22-9-7-21(8-10-22)11-12-23-18-14-16(2)4-6-20-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZUWAPVWSSWTUDO-UHFFFAOYSA-N
MW328.49 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine

1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine (PubChem CID 162408039) has the molecular formula C18H24N4S and a molecular weight of 328.49 g/mol. Its IUPAC name is 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine.

Molecular Properties

Compound Name1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine
PubChem CID162408039
Molecular FormulaC18H24N4S
Molecular Weight328.49 g/mol
Exact Mass328.17
IUPAC Name1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine
SMILESCc1ccnc(SCCN2CCN(c3cc(C)ccn3)CC2)c1
InChIInChI=1S/C18H24N4S/c1-15-3-5-19-17(13-15)22-9-7-21(8-10-22)11-12-23-18-14-16(2)4-6-20-18/h3-6,13-14H,7-12H2,1-2H3
InChIKeyZUWAPVWSSWTUDO-UHFFFAOYSA-N
XLogP3.01
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.49
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propanoate
CID 80703579
1-[(1,4-dimethylpiperidin-4-yl)methyl]-4-(4-methyl-2-pyridinyl)piperazine
CID 50985482
5-methyl-1-[4-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyrimidine-2,4-dione
CID 67374237
2-[4-(bromomethyl)piperidin-1-yl]-4-methylpyridine
CID 80668447
2-[1-(4-methyl-2-pyridinyl)piperidin-4-yl]ethanamine;hydrochloride
CID 22064868
3-methoxy-N-[2-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethyl]benzamide;dihydrochloride
CID 71449110
1-(5-methyl-2-pyridinyl)-4-(2-methylsulfanylethyl)piperazine
CID 143774965
3-(2-methylpropyl)-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133493081
5-methyl-2-[3-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]propyl]-4-phenylpyrazolidin-3-one
CID 70474650
3-tert-butyl-5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]-1,2,4-thiadiazole
CID 133494815
1-(4-methylphenyl)-4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethyl]piperazine
CID 67871463
5-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133493080

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine?
The IUPAC name of 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine (CID 162408039) is 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine.
What is the SMILES notation for 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine?
The canonical SMILES for 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine is Cc1ccnc(SCCN2CCN(c3cc(C)ccn3)CC2)c1.
What is the InChIKey of 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine?
The InChIKey is ZUWAPVWSSWTUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4S/c1-15-3-5-19-17(13-15)22-9-7-21(8-10-22)11-12-23-18-14-16(2)4-6-20-18/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine?
1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine has a molecular weight of 328.49 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-2-pyridinyl)-4-[2-[(4-methyl-2-pyridinyl)sulfanyl]ethyl]piperazine is sourced from PubChem (CID 162408039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).