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

C8H20Cl2N2 — CID 57463733

IUPAC(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
SMILESCC(C)N1CCNC[C@@H]1C.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(2)10-5-4-9-6-8(10)3;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1
InChIKeyKJKVHBPVQISRQG-JZGIKJSDSA-N
MW215.17 g/mol
LogP1.53
Rot. Bonds1

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

(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride (PubChem CID 57463733) has the molecular formula C8H20Cl2N2 and a molecular weight of 215.17 g/mol. Its IUPAC name is (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
PubChem CID57463733
Molecular FormulaC8H20Cl2N2
Molecular Weight215.17 g/mol
Exact Mass214.10
IUPAC Name(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride
SMILESCC(C)N1CCNC[C@@H]1C.Cl.Cl
InChIInChI=1S/C8H18N2.2ClH/c1-7(2)10-5-4-9-6-8(10)3;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1
InChIKeyKJKVHBPVQISRQG-JZGIKJSDSA-N
XLogP1.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-1-(1-cyclopropylpropan-2-yl)-2-methylpiperazine;hydrochloride
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2-[(2R)-2-methylpiperazin-1-yl]propanenitrile
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(2R)-2-methyl-1-[(2S)-pentan-2-yl]piperazine
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2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719
2-methyl-3-[(2R)-2-methylpiperazin-1-yl]butanoic acid
CID 82761791
3-[(2S)-2-methylpiperazin-1-yl]butanoic acid
CID 82755213
(2S)-2-methyl-1-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]piperazine
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N-methyl-2-[(2R)-2-methylpiperazin-1-yl]propanamide
CID 82761351
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride?
The IUPAC name of (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride (CID 57463733) is (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride.
What is the SMILES notation for (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride?
The canonical SMILES for (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride is CC(C)N1CCNC[C@@H]1C.Cl.Cl.
What is the InChIKey of (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride?
The InChIKey is KJKVHBPVQISRQG-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H18N2.2ClH/c1-7(2)10-5-4-9-6-8(10)3;;/h7-9H,4-6H2,1-3H3;2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride?
(2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride has a molecular weight of 215.17 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-propan-2-ylpiperazine;dihydrochloride is sourced from PubChem (CID 57463733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).