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

C9H19ClN2O2 — CID 118918424

IUPACmethyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCNC[C@@H]1C(C)C.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-7(2)8-6-10-4-5-11(8)9(12)13-3;/h7-8,10H,4-6H2,1-3H3;1H/t8-;/m1./s1
InChIKeyQXQWAHFLXUNNCL-DDWIOCJRSA-N
MW222.72 g/mol
LogP1.10
Rot. Bonds1

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

methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride (PubChem CID 118918424) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
PubChem CID118918424
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Namemethyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride
SMILESCOC(=O)N1CCNC[C@@H]1C(C)C.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-7(2)8-6-10-4-5-11(8)9(12)13-3;/h7-8,10H,4-6H2,1-3H3;1H/t8-;/m1./s1
InChIKeyQXQWAHFLXUNNCL-DDWIOCJRSA-N
XLogP1.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propan-2-ylpiperazin-1-yl)ethanone
CID 82240899
2-methyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82241180
1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
CID 82241181
(1-methoxycyclopropyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 177202758
cyclopropyl-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82241133
1-[(2S)-2-propan-2-ylpiperazin-1-yl]prop-2-en-1-one
CID 178149629
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
(2-methoxyphenyl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82246394
(3-methoxythiophen-2-yl)-(2-propan-2-ylpiperazin-1-yl)methanone
CID 82247226
3-phenyl-1-(2-propan-2-ylpiperazin-1-yl)propan-1-one
CID 82246033
methyl (2S)-4-oxo-2-propan-2-ylpiperidine-1-carboxylate
CID 102466950
3-(2-propan-2-ylpiperazin-1-yl)butanoic acid
CID 112546820

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride?
The IUPAC name of methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride (CID 118918424) is methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride is COC(=O)N1CCNC[C@@H]1C(C)C.Cl.
What is the InChIKey of methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride?
The InChIKey is QXQWAHFLXUNNCL-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-7(2)8-6-10-4-5-11(8)9(12)13-3;/h7-8,10H,4-6H2,1-3H3;1H/t8-;/m1./s1.
What are the key properties of methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride?
methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-propan-2-ylpiperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 118918424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).