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

C8H18N2O — CID 45096059

IUPAC[(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol
SMILESCC(C)[C@H]1CN[C@@H](CO)CN1
InChIInChI=1S/C8H18N2O/c1-6(2)8-4-9-7(5-11)3-10-8/h6-11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyIGFQXSUAFLCMDP-HTQZYQBOSA-N
MW158.24 g/mol
LogP-0.44
Rot. Bonds2

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

[(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol (PubChem CID 45096059) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol
PubChem CID45096059
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol
SMILESCC(C)[C@H]1CN[C@@H](CO)CN1
InChIInChI=1S/C8H18N2O/c1-6(2)8-4-9-7(5-11)3-10-8/h6-11H,3-5H2,1-2H3/t7-,8-/m1/s1
InChIKeyIGFQXSUAFLCMDP-HTQZYQBOSA-N
XLogP-0.44
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol?
The IUPAC name of [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol (CID 45096059) is [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol.
What is the SMILES notation for [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol?
The canonical SMILES for [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol is CC(C)[C@H]1CN[C@@H](CO)CN1.
What is the InChIKey of [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol?
The InChIKey is IGFQXSUAFLCMDP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H18N2O/c1-6(2)8-4-9-7(5-11)3-10-8/h6-11H,3-5H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol?
[(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of -0.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-propan-2-ylpiperazin-2-yl]methanol is sourced from PubChem (CID 45096059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).