(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol

C10H22N2O2 — CID 56777361

IUPAC(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol
SMILESCC(C)[C@@H]1NC(O)[C@H](C(C)C)NC1O
InChIInChI=1S/C10H22N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-14H,1-4H3/t7-,8-,9?,10?/m0/s1
InChIKeyHAISJRNRDKAUQG-DKEVHCRPSA-N
MW202.30 g/mol
LogP-0.13
Rot. Bonds2

About (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol

(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol (PubChem CID 56777361) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol.

Molecular Properties

Compound Name(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol
PubChem CID56777361
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol
SMILESCC(C)[C@@H]1NC(O)[C@H](C(C)C)NC1O
InChIInChI=1S/C10H22N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-14H,1-4H3/t7-,8-,9?,10?/m0/s1
InChIKeyHAISJRNRDKAUQG-DKEVHCRPSA-N
XLogP-0.13
TPSA64.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 5-0.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol?
The IUPAC name of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol (CID 56777361) is (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol.
What is the SMILES notation for (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol?
The canonical SMILES for (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol is CC(C)[C@@H]1NC(O)[C@H](C(C)C)NC1O.
What is the InChIKey of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol?
The InChIKey is HAISJRNRDKAUQG-DKEVHCRPSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5(2)7-9(13)12-8(6(3)4)10(14)11-7/h5-14H,1-4H3/t7-,8-,9?,10?/m0/s1.
What are the key properties of (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol?
(3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol has a molecular weight of 202.30 g/mol, XLogP of -0.13, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3,6-di(propan-2-yl)piperazine-2,5-diol is sourced from PubChem (CID 56777361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).