[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine

C14H30N4S — CID 82888931

IUPAC[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4S/c1-16-7-9-18(10-8-16)12-11-17-5-3-14(13-15,19-2)4-6-17/h3-13,15H2,1-2H3
InChIKeyJGNWKNCVXNJXOB-UHFFFAOYSA-N
MW286.49 g/mol
LogP0.39
Rot. Bonds5

About [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine

[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine (PubChem CID 82888931) has the molecular formula C14H30N4S and a molecular weight of 286.49 g/mol. Its IUPAC name is [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine
PubChem CID82888931
Molecular FormulaC14H30N4S
Molecular Weight286.49 g/mol
Exact Mass286.22
IUPAC Name[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine
SMILESCSC1(CN)CCN(CCN2CCN(C)CC2)CC1
InChIInChI=1S/C14H30N4S/c1-16-7-9-18(10-8-16)12-11-17-5-3-14(13-15,19-2)4-6-17/h3-13,15H2,1-2H3
InChIKeyJGNWKNCVXNJXOB-UHFFFAOYSA-N
XLogP0.39
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.49
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine?
The IUPAC name of [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine (CID 82888931) is [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine is CSC1(CN)CCN(CCN2CCN(C)CC2)CC1.
What is the InChIKey of [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine?
The InChIKey is JGNWKNCVXNJXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4S/c1-16-7-9-18(10-8-16)12-11-17-5-3-14(13-15,19-2)4-6-17/h3-13,15H2,1-2H3.
What are the key properties of [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine?
[1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine has a molecular weight of 286.49 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methylpiperazin-1-yl)ethyl]-4-methylsulfanylpiperidin-4-yl]methanamine is sourced from PubChem (CID 82888931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).