1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine

C9H18N2O2 — CID 174090103

IUPAC1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine
SMILESC[C@H]([C@@H]1COCO1)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(9-6-12-7-13-9)11-4-2-10-3-5-11/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyLNRDZWWZFATBQB-BDAKNGLRSA-N
MW186.25 g/mol
LogP-0.35
Rot. Bonds2

About 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine

1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine (PubChem CID 174090103) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine
PubChem CID174090103
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine
SMILESC[C@H]([C@@H]1COCO1)N1CCNCC1
InChIInChI=1S/C9H18N2O2/c1-8(9-6-12-7-13-9)11-4-2-10-3-5-11/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
InChIKeyLNRDZWWZFATBQB-BDAKNGLRSA-N
XLogP-0.35
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Dioxolan-4-ylmethyl)piperazine
CID 22245492
1-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-piperazine
CID 22732239
5-(2-Methoxyethoxymethoxy)piperidin-3-amine
CID 67033805
1-((s)-2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-piperazine
CID 67205042
1,3-Dioxolane;2-methylpiperazine
CID 68551241
2-[Methoxy(2-methoxyethoxy)methyl]piperazine
CID 69193286
2-(2-Methoxy-ethoxymethoxymethyl)-piperazine
CID 69193287
3-Methyl-1-[[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]methyl]piperazine
CID 123975985
(3R,5S)-5-(2-methoxyethoxymethoxy)piperidin-3-amine
CID 140219897
4-Methyl-5-(2-methylpiperazin-1-yl)-1,3-dioxolan-2-one
CID 149734362
4-Methyl-5-piperazin-1-yl-1,3-dioxolan-2-one
CID 150367827
1-[(3R,4R)-4-methoxyoxolan-3-yl]piperazine
CID 163277646

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine?
The IUPAC name of 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine (CID 174090103) is 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine is C[C@H]([C@@H]1COCO1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine?
The InChIKey is LNRDZWWZFATBQB-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-8(9-6-12-7-13-9)11-4-2-10-3-5-11/h8-10H,2-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine?
1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine has a molecular weight of 186.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[(4R)-1,3-dioxolan-4-yl]ethyl]piperazine is sourced from PubChem (CID 174090103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).