(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride

C11H24ClN3 — CID 130763014

IUPAC(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
SMILESC[C@H]1CNCCN1C1CCN(C)CC1.Cl
InChIInChI=1S/C11H23N3.ClH/c1-10-9-12-5-8-14(10)11-3-6-13(2)7-4-11;/h10-12H,3-9H2,1-2H3;1H/t10-;/m0./s1
InChIKeyNNILPBBJVXOFPX-PPHPATTJSA-N
MW233.79 g/mol
LogP0.80
Rot. Bonds1

About (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride

(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride (PubChem CID 130763014) has the molecular formula C11H24ClN3 and a molecular weight of 233.79 g/mol. Its IUPAC name is (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
PubChem CID130763014
Molecular FormulaC11H24ClN3
Molecular Weight233.79 g/mol
Exact Mass233.17
IUPAC Name(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride
SMILESC[C@H]1CNCCN1C1CCN(C)CC1.Cl
InChIInChI=1S/C11H23N3.ClH/c1-10-9-12-5-8-14(10)11-3-6-13(2)7-4-11;/h10-12H,3-9H2,1-2H3;1H/t10-;/m0./s1
InChIKeyNNILPBBJVXOFPX-PPHPATTJSA-N
XLogP0.80
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.79
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)piperazine
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(2R)-2-methyl-1-(thiolan-3-yl)piperazine
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1-(1-methylpiperidin-4-yl)-2-phenylpiperazine
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(2R)-2-methyl-1-(oxan-3-yl)piperazine
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(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride?
The IUPAC name of (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride (CID 130763014) is (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride?
The canonical SMILES for (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride is C[C@H]1CNCCN1C1CCN(C)CC1.Cl.
What is the InChIKey of (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride?
The InChIKey is NNILPBBJVXOFPX-PPHPATTJSA-N. The full InChI is InChI=1S/C11H23N3.ClH/c1-10-9-12-5-8-14(10)11-3-6-13(2)7-4-11;/h10-12H,3-9H2,1-2H3;1H/t10-;/m0./s1.
What are the key properties of (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride?
(2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride has a molecular weight of 233.79 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(1-methylpiperidin-4-yl)piperazine;hydrochloride is sourced from PubChem (CID 130763014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).