4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol

C12H24N2O2 — CID 59333969

IUPAC4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol
SMILESC[C@@H]1CN[C@@H](C)CN1CC1(O)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10-8-14(11(2)7-13-10)9-12(15)3-5-16-6-4-12/h10-11,13,15H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyHNLRYCHUTIWXBN-WDEREUQCSA-N
MW228.34 g/mol
LogP0.21
Rot. Bonds2

About 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol

4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol (PubChem CID 59333969) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol
PubChem CID59333969
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol
SMILESC[C@@H]1CN[C@@H](C)CN1CC1(O)CCOCC1
InChIInChI=1S/C12H24N2O2/c1-10-8-14(11(2)7-13-10)9-12(15)3-5-16-6-4-12/h10-11,13,15H,3-9H2,1-2H3/t10-,11+/m0/s1
InChIKeyHNLRYCHUTIWXBN-WDEREUQCSA-N
XLogP0.21
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol (CID 59333969) is 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol is C[C@@H]1CN[C@@H](C)CN1CC1(O)CCOCC1.
What is the InChIKey of 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol?
The InChIKey is HNLRYCHUTIWXBN-WDEREUQCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10-8-14(11(2)7-13-10)9-12(15)3-5-16-6-4-12/h10-11,13,15H,3-9H2,1-2H3/t10-,11+/m0/s1.
What are the key properties of 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol?
4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol has a molecular weight of 228.34 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R,5S)-2,5-dimethylpiperazin-1-yl]methyl]oxan-4-ol is sourced from PubChem (CID 59333969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).