1-[[(2S)-oxolan-2-yl]methyl]piperazine

C9H18N2O — CID 2063935

IUPAC1-[[(2S)-oxolan-2-yl]methyl]piperazine
SMILESC1CO[C@H](CN2CCNCC2)C1
InChIInChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2/t9-/m0/s1
InChIKeyGKBPGHNDWVURBD-VIFPVBQESA-N
MW170.26 g/mol
LogP0.07
Rot. Bonds2

About 1-[[(2S)-oxolan-2-yl]methyl]piperazine

1-[[(2S)-oxolan-2-yl]methyl]piperazine (PubChem CID 2063935) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[[(2S)-oxolan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(2S)-oxolan-2-yl]methyl]piperazine
PubChem CID2063935
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[[(2S)-oxolan-2-yl]methyl]piperazine
SMILESC1CO[C@H](CN2CCNCC2)C1
InChIInChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2/t9-/m0/s1
InChIKeyGKBPGHNDWVURBD-VIFPVBQESA-N
XLogP0.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]piperazine?
The IUPAC name of 1-[[(2S)-oxolan-2-yl]methyl]piperazine (CID 2063935) is 1-[[(2S)-oxolan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(2S)-oxolan-2-yl]methyl]piperazine?
The canonical SMILES for 1-[[(2S)-oxolan-2-yl]methyl]piperazine is C1CO[C@H](CN2CCNCC2)C1.
What is the InChIKey of 1-[[(2S)-oxolan-2-yl]methyl]piperazine?
The InChIKey is GKBPGHNDWVURBD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18N2O/c1-2-9(12-7-1)8-11-5-3-10-4-6-11/h9-10H,1-8H2/t9-/m0/s1.
What are the key properties of 1-[[(2S)-oxolan-2-yl]methyl]piperazine?
1-[[(2S)-oxolan-2-yl]methyl]piperazine has a molecular weight of 170.26 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-oxolan-2-yl]methyl]piperazine is sourced from PubChem (CID 2063935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).