4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride

C9H16ClN3O — CID 131160294

IUPAC4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESC[C@@H]1CN(Cc2cocn2)CCN1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-8-4-12(3-2-10-8)5-9-6-13-7-11-9;/h6-8,10H,2-5H2,1H3;1H/t8-;/m1./s1
InChIKeyLAOLZWDWGDPQOD-DDWIOCJRSA-N
MW217.70 g/mol
LogP0.89
Rot. Bonds2

About 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride

4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride (PubChem CID 131160294) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride.

Molecular Properties

Compound Name4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
PubChem CID131160294
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride
SMILESC[C@@H]1CN(Cc2cocn2)CCN1.Cl
InChIInChI=1S/C9H15N3O.ClH/c1-8-4-12(3-2-10-8)5-9-6-13-7-11-9;/h6-8,10H,2-5H2,1H3;1H/t8-;/m1./s1
InChIKeyLAOLZWDWGDPQOD-DDWIOCJRSA-N
XLogP0.89
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 71639374
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
3-chloro-6-[[(3S)-3-methylpiperazin-1-yl]methyl]pyridazine
CID 97163264
(3S)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885719
5-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 104975721
(3R)-3-methyl-1-[(1-methyltriazol-4-yl)methyl]piperazine
CID 103885940
2-chloro-4-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrimidine
CID 97163267
2-(4-chlorophenyl)-4-[(3-methylpiperazin-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 119924520
4-[[3-(2-methylpropyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 169242095
2-chloro-5-[(3-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 71639382
(3R)-3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 104975601
(3S)-1-[(1-tert-butyltriazol-4-yl)methyl]-3-methylpiperazine;hydrochloride
CID 120845822

Frequently Asked Questions

What is the IUPAC name of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The IUPAC name of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride (CID 131160294) is 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride.
What is the SMILES notation for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The canonical SMILES for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride is C[C@@H]1CN(Cc2cocn2)CCN1.Cl.
What is the InChIKey of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
The InChIKey is LAOLZWDWGDPQOD-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H15N3O.ClH/c1-8-4-12(3-2-10-8)5-9-6-13-7-11-9;/h6-8,10H,2-5H2,1H3;1H/t8-;/m1./s1.
What are the key properties of 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride?
4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride has a molecular weight of 217.70 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3R)-3-methylpiperazin-1-yl]methyl]-1,3-oxazole;hydrochloride is sourced from PubChem (CID 131160294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).