(2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride

C8H19ClN2 — CID 134690819

IUPAC(2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride
SMILESCC(C)[C@H]1CNCCN1C.Cl
InChIInChI=1S/C8H18N2.ClH/c1-7(2)8-6-9-4-5-10(8)3;/h7-9H,4-6H2,1-3H3;1H/t8-;/m1./s1
InChIKeyUXUVKINUVFECJK-DDWIOCJRSA-N
MW178.71 g/mol
LogP0.97
Rot. Bonds1

About (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride

(2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride (PubChem CID 134690819) has the molecular formula C8H19ClN2 and a molecular weight of 178.71 g/mol. Its IUPAC name is (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name(2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride
PubChem CID134690819
Molecular FormulaC8H19ClN2
Molecular Weight178.71 g/mol
Exact Mass178.12
IUPAC Name(2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride
SMILESCC(C)[C@H]1CNCCN1C.Cl
InChIInChI=1S/C8H18N2.ClH/c1-7(2)8-6-9-4-5-10(8)3;/h7-9H,4-6H2,1-3H3;1H/t8-;/m1./s1
InChIKeyUXUVKINUVFECJK-DDWIOCJRSA-N
XLogP0.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.71
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride?
The IUPAC name of (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride (CID 134690819) is (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride.
What is the SMILES notation for (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride?
The canonical SMILES for (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride is CC(C)[C@H]1CNCCN1C.Cl.
What is the InChIKey of (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride?
The InChIKey is UXUVKINUVFECJK-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H18N2.ClH/c1-7(2)8-6-9-4-5-10(8)3;/h7-9H,4-6H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride?
(2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride has a molecular weight of 178.71 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-methyl-2-propan-2-ylpiperazine;hydrochloride is sourced from PubChem (CID 134690819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).