1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine

C9H20N2O — CID 162764220

IUPAC1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
SMILESCOC[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(8-12-3)11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyMJZJKTRLTQWTEX-VIFPVBQESA-N
MW172.27 g/mol
LogP0.27
Rot. Bonds3

About 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine

1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine (PubChem CID 162764220) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
PubChem CID162764220
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine
SMILESCOC[C@H](C)N1CCN(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(8-12-3)11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3/t9-/m0/s1
InChIKeyMJZJKTRLTQWTEX-VIFPVBQESA-N
XLogP0.27
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-(1-methoxypropan-2-yl)piperidin-4-one
CID 24709095
3-methoxy-2-(4-methylpiperazin-1-yl)propanenitrile
CID 130166847
1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
1-(1-methoxypropan-2-yl)-4-methylpiperidin-4-amine;hydrochloride
CID 131089433
1-butan-2-yl-4-(2-methoxyethyl)piperazine
CID 147045580
tert-butyl 4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxylate
CID 129370784
3-amino-4-methoxy-2-(4-methylpiperazin-1-yl)butan-1-ol
CID 114356429
N-[2-(4-methylpiperazin-1-yl)propyl]formamide
CID 87675606
(3R)-1-[4-[(2R)-1-methoxypropan-2-yl]piperazin-1-yl]-3-methylpentan-1-one
CID 100704548
1-(1-methoxypropan-2-yl)-4-methylazepan-4-ol
CID 107408062
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine (CID 162764220) is 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine is COC[C@H](C)N1CCN(C)CC1.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine?
The InChIKey is MJZJKTRLTQWTEX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(8-12-3)11-6-4-10(2)5-7-11/h9H,4-8H2,1-3H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine?
1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine has a molecular weight of 172.27 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-4-methylpiperazine is sourced from PubChem (CID 162764220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).