1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine

C12H25N3S — CID 174302518

IUPAC1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
SMILESCSCN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N3S/c1-13-7-9-15(10-8-13)12-3-5-14(6-4-12)11-16-2/h12H,3-11H2,1-2H3
InChIKeyQDXKGNHFQGKMPJ-UHFFFAOYSA-N
MW243.42 g/mol
LogP1.02
Rot. Bonds3

About 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine

1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine (PubChem CID 174302518) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
PubChem CID174302518
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
SMILESCSCN1CCC(N2CCN(C)CC2)CC1
InChIInChI=1S/C12H25N3S/c1-13-7-9-15(10-8-13)12-3-5-14(6-4-12)11-16-2/h12H,3-11H2,1-2H3
InChIKeyQDXKGNHFQGKMPJ-UHFFFAOYSA-N
XLogP1.02
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-4-(methylsulfanylmethyl)piperazine
CID 118263141
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
CID 163434092
ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-[1-[(Z)-2-ethyl-4-methylhex-4-enyl]piperidin-4-yl]-4-methylpiperazine
CID 142067869
N-ethyl-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 70915121
1-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]butan-1-one
CID 54447693
1-(4-iodocyclohexyl)-4-methylpiperazine
CID 134444835
4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl chloride;hydrochloride
CID 168873592
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine (CID 174302518) is 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine is CSCN1CCC(N2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine?
The InChIKey is QDXKGNHFQGKMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-13-7-9-15(10-8-13)12-3-5-14(6-4-12)11-16-2/h12H,3-11H2,1-2H3.
What are the key properties of 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine?
1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine has a molecular weight of 243.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 174302518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).