[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol

C10H22N2O — CID 135011279

IUPAC[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol
SMILESCC(C)[C@H]1CN(C)[C@@H](CO)CN1C
InChIInChI=1S/C10H22N2O/c1-8(2)10-6-11(3)9(7-13)5-12(10)4/h8-10,13H,5-7H2,1-4H3/t9-,10-/m1/s1
InChIKeyRICAUZWWXSFYCA-NXEZZACHSA-N
MW186.30 g/mol
LogP0.25
Rot. Bonds2

About [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol

[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol (PubChem CID 135011279) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol
PubChem CID135011279
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol
SMILESCC(C)[C@H]1CN(C)[C@@H](CO)CN1C
InChIInChI=1S/C10H22N2O/c1-8(2)10-6-11(3)9(7-13)5-12(10)4/h8-10,13H,5-7H2,1-4H3/t9-,10-/m1/s1
InChIKeyRICAUZWWXSFYCA-NXEZZACHSA-N
XLogP0.25
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[1-(Hydroxymethyl)propyl]piperazin-1-yl]butan-1-ol
CID 469987
2-[4-(2,2-Dimethylpropyl)-1-methyl-2-piperazinyl]ethanol
CID 45190989
2-(4-Isobutyl-1-methyl-2-piperazinyl)ethanol
CID 45931901
(1,4-Dimethylpiperazin-2-yl)methanol
CID 2779170
2-[4-(3,3-Dimethylbutyl)piperazin-1-yl]ethanol
CID 20792967
2-(2,4-Dimethylpiperazin-1-yl)ethan-1-ol
CID 66568112
2-[3-(Propan-2-yl)piperazin-1-yl]ethan-1-ol
CID 82668438
(1,4-Ditert-butylpiperazin-2-yl)-fluoromethanol
CID 168764694
[1,4-Di(propan-2-yl)piperazin-2-yl]-fluoromethanol
CID 169848837
3-(3-Methyl-4-propylpiperazin-1-yl)propan-1-ol
CID 232248
2-(3-Methyl-4-propylpiperazin-1-yl)ethanol
CID 269715
2-(4-Isobutylpiperazin-1-yl)ethanol
CID 4739636

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol?
The IUPAC name of [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol (CID 135011279) is [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol is CC(C)[C@H]1CN(C)[C@@H](CO)CN1C.
What is the InChIKey of [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol?
The InChIKey is RICAUZWWXSFYCA-NXEZZACHSA-N. The full InChI is InChI=1S/C10H22N2O/c1-8(2)10-6-11(3)9(7-13)5-12(10)4/h8-10,13H,5-7H2,1-4H3/t9-,10-/m1/s1.
What are the key properties of [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol?
[(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol has a molecular weight of 186.30 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-1,4-dimethyl-5-propan-2-ylpiperazin-2-yl]methanol is sourced from PubChem (CID 135011279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).