(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate

C14H19ClN2O2 — CID 69141542

IUPAC(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CNCC(C)N1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-10-7-16-8-11(2)17(10)14(18)19-9-12-3-5-13(15)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyXSCKPOBGYVJTAW-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.66
Rot. Bonds2

About (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate

(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate (PubChem CID 69141542) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
PubChem CID69141542
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
SMILESCC1CNCC(C)N1C(=O)OCc1ccc(Cl)cc1
InChIInChI=1S/C14H19ClN2O2/c1-10-7-16-8-11(2)17(10)14(18)19-9-12-3-5-13(15)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3
InChIKeyXSCKPOBGYVJTAW-UHFFFAOYSA-N
XLogP2.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-difluorophenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69140938
(3-phenylmethoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69142437
(2-fluoro-5-methoxyphenyl)methyl (2S,6R)-2,6-dimethylpiperazine-1-carboxylate
CID 69141668
[6-(3-methylbutoxy)-3-pyridinyl]methyl 2,6-dimethylpiperazine-1-carboxylate
CID 69142434
(5-ethoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22219866
(5-butoxy-2-fluorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate
CID 22220005
1-[(4-chlorophenyl)methyl]-3-[4-[2-(2,6-dimethylpiperazin-1-yl)-2-oxoethyl]phenyl]urea
CID 156825259
benzyl (2S)-2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 57066025
benzyl 2,6-dimethyl-3-oxopiperazine-1-carboxylate
CID 54133253
benzyl 2,6-dimethylpiperidine-1-carboxylate
CID 69041433
[2-fluoro-5-(3-phenylpropoxy)phenyl]methyl (2R,6S)-2,6-dimethylpiperazine-1-carboxylate
CID 21021892
benzyl (2S,3S,5R)-3-hydroxy-2,5-dimethylpyrrolidine-1-carboxylate
CID 59273085

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The IUPAC name of (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate (CID 69141542) is (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate is CC1CNCC(C)N1C(=O)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
The InChIKey is XSCKPOBGYVJTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-7-16-8-11(2)17(10)14(18)19-9-12-3-5-13(15)6-4-12/h3-6,10-11,16H,7-9H2,1-2H3.
What are the key properties of (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate?
(4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate has a molecular weight of 282.77 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2,6-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 69141542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).