1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine

C10H20N2O2 — CID 67205042

IUPAC1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine
SMILESCC1(C)OC[C@H](CN2CCNCC2)O1
InChIInChI=1S/C10H20N2O2/c1-10(2)13-8-9(14-10)7-12-5-3-11-4-6-12/h9,11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyCUTBQYOJWOSAHD-VIFPVBQESA-N
MW200.28 g/mol
LogP0.04
Rot. Bonds2

About 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine

1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine (PubChem CID 67205042) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine
PubChem CID67205042
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine
SMILESCC1(C)OC[C@H](CN2CCNCC2)O1
InChIInChI=1S/C10H20N2O2/c1-10(2)13-8-9(14-10)7-12-5-3-11-4-6-12/h9,11H,3-8H2,1-2H3/t9-/m0/s1
InChIKeyCUTBQYOJWOSAHD-VIFPVBQESA-N
XLogP0.04
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-Dioxolan-2-ylmethyl)piperazine
CID 2737195
1-[2-(1,3-Dioxolan-2-yl)ethyl]piperazine
CID 2760435
(2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]morpholine
CID 125514799
2-(Diethoxymethyl)morpholine
CID 137964666
{[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl}(ethyl)amine hydrochloride
CID 165998880
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-2,6-dimethylmorpholine
CID 4516478
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]ethane-1,2-diamine
CID 14009886
N'-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-N,N,N'-trimethyl-ethane-1,2-diamine
CID 361938
(4s,5s)-2,2-Dimethyl-4,5-bis(methylaminomethyl)-1,3-dioxolane
CID 12007967
[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl][2-(methylamino)ethyl](2,2,2-trifluoroethyl)amine
CID 165494113
4-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]morpholine
CID 3719886
1-(2,3-Dimethoxypropyl)piperazine
CID 10583784

Frequently Asked Questions

What is the IUPAC name of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine?
The IUPAC name of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine (CID 67205042) is 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine?
The canonical SMILES for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine is CC1(C)OC[C@H](CN2CCNCC2)O1.
What is the InChIKey of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine?
The InChIKey is CUTBQYOJWOSAHD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H20N2O2/c1-10(2)13-8-9(14-10)7-12-5-3-11-4-6-12/h9,11H,3-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine?
1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine has a molecular weight of 200.28 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]piperazine is sourced from PubChem (CID 67205042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).