(4-chloro-2-methylphenyl) piperazine-1-carboxylate

C12H15ClN2O2 — CID 82298956

IUPAC(4-chloro-2-methylphenyl) piperazine-1-carboxylate
SMILESCc1cc(Cl)ccc1OC(=O)N1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c1-9-8-10(13)2-3-11(9)17-12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKeyBIXZUMUGTZIAMV-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.05
Rot. Bonds1

About (4-chloro-2-methylphenyl) piperazine-1-carboxylate

(4-chloro-2-methylphenyl) piperazine-1-carboxylate (PubChem CID 82298956) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is (4-chloro-2-methylphenyl) piperazine-1-carboxylate.

Molecular Properties

Compound Name(4-chloro-2-methylphenyl) piperazine-1-carboxylate
PubChem CID82298956
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name(4-chloro-2-methylphenyl) piperazine-1-carboxylate
SMILESCc1cc(Cl)ccc1OC(=O)N1CCNCC1
InChIInChI=1S/C12H15ClN2O2/c1-9-8-10(13)2-3-11(9)17-12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3
InChIKeyBIXZUMUGTZIAMV-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
(2,4-dichlorophenyl) morpholine-4-carboxylate
CID 134989455
1-[5-(4-chloro-2-methylphenoxy)pentyl]piperazine
CID 5154793
(2-bromo-4-methoxycarbonyl-3-methylphenyl) piperazine-1-carboxylate
CID 175211690
(2,4-dichlorophenyl)methyl piperazine-1-carboxylate;hydrochloride
CID 69143909
(3,4-dimethylphenyl) 1,4-diazepane-1-carboxylate
CID 82296475
[4-chloro-2-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] piperazine-1-carboxylate
CID 163370552
(8-chloro-3-oxophenoxazin-1-yl) piperazine-1-carboxylate
CID 70348371
N-(5-chloro-2-methoxyphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 28507464
(4-chloro-2-fluorophenyl)methyl piperazine-1-carboxylate
CID 66720606

Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-methylphenyl) piperazine-1-carboxylate?
The IUPAC name of (4-chloro-2-methylphenyl) piperazine-1-carboxylate (CID 82298956) is (4-chloro-2-methylphenyl) piperazine-1-carboxylate.
What is the SMILES notation for (4-chloro-2-methylphenyl) piperazine-1-carboxylate?
The canonical SMILES for (4-chloro-2-methylphenyl) piperazine-1-carboxylate is Cc1cc(Cl)ccc1OC(=O)N1CCNCC1.
What is the InChIKey of (4-chloro-2-methylphenyl) piperazine-1-carboxylate?
The InChIKey is BIXZUMUGTZIAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-9-8-10(13)2-3-11(9)17-12(16)15-6-4-14-5-7-15/h2-3,8,14H,4-7H2,1H3.
What are the key properties of (4-chloro-2-methylphenyl) piperazine-1-carboxylate?
(4-chloro-2-methylphenyl) piperazine-1-carboxylate has a molecular weight of 254.72 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-methylphenyl) piperazine-1-carboxylate is sourced from PubChem (CID 82298956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).