[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol

C11H23N3S — CID 163434092

IUPAC[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
SMILESCN1CCN(C2CCN(CS)CC2)CC1
InChIInChI=1S/C11H23N3S/c1-12-6-8-14(9-7-12)11-2-4-13(10-15)5-3-11/h11,15H,2-10H2,1H3
InChIKeyASYYMZZSJBWHFS-UHFFFAOYSA-N
MW229.39 g/mol
LogP0.59
Rot. Bonds2

About [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol

[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol (PubChem CID 163434092) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol.

Molecular Properties

Compound Name[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
PubChem CID163434092
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol
SMILESCN1CCN(C2CCN(CS)CC2)CC1
InChIInChI=1S/C11H23N3S/c1-12-6-8-14(9-7-12)11-2-4-13(10-15)5-3-11/h11,15H,2-10H2,1H3
InChIKeyASYYMZZSJBWHFS-UHFFFAOYSA-N
XLogP0.59
TPSA9.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

ethane;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 144911273
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
1-methyl-4-[1-(methylsulfanylmethyl)piperidin-4-yl]piperazine
CID 174302518
ethane;N-methyl-2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetamide
CID 142367954
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
CID 937246
1-methyl-4-[1-[(1-methylpiperidin-4-yl)methyl]azetidin-3-yl]piperazine
CID 169319806
1-(1-methylpiperidin-4-yl)-4-(piperidin-4-ylmethyl)piperazine
CID 167265149
2-methyl-5-[[1-(1-methylpiperidin-4-yl)piperidin-4-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 167091235
1-(4-iodocyclohexyl)-4-methylpiperazine
CID 134444835
1-cyclopropyl-4-(2,2-dimethylpropyl)piperazine;1-(2,2-dimethylpropyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 160625863
1-[2-(3-ethylpyrrolidin-1-yl)ethyl]-4-(1-methylpiperidin-4-yl)piperazine
CID 167265161
1-(1-methylpiperidin-4-yl)-4-[2-[(3S)-1-methylpyrrolidin-3-yl]ethyl]piperazine
CID 167265160

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol?
The IUPAC name of [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol (CID 163434092) is [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol.
What is the SMILES notation for [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol?
The canonical SMILES for [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol is CN1CCN(C2CCN(CS)CC2)CC1.
What is the InChIKey of [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol?
The InChIKey is ASYYMZZSJBWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-12-6-8-14(9-7-12)11-2-4-13(10-15)5-3-11/h11,15H,2-10H2,1H3.
What are the key properties of [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol?
[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol has a molecular weight of 229.39 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanethiol is sourced from PubChem (CID 163434092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).