2-methylpropyl 3-benzylpiperazine-1-carboxylate

C16H24N2O2 — CID 82248433

IUPAC2-methylpropyl 3-benzylpiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-13(2)12-20-16(19)18-9-8-17-15(11-18)10-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyZIBVPMAWPLTBDO-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.30
Rot. Bonds4

About 2-methylpropyl 3-benzylpiperazine-1-carboxylate

2-methylpropyl 3-benzylpiperazine-1-carboxylate (PubChem CID 82248433) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-methylpropyl 3-benzylpiperazine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-benzylpiperazine-1-carboxylate
PubChem CID82248433
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-methylpropyl 3-benzylpiperazine-1-carboxylate
SMILESCC(C)COC(=O)N1CCNC(Cc2ccccc2)C1
InChIInChI=1S/C16H24N2O2/c1-13(2)12-20-16(19)18-9-8-17-15(11-18)10-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3
InChIKeyZIBVPMAWPLTBDO-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-benzylpiperazine-1-carboxylate;hydrochloride
CID 75088473
2-amino-1-(3-benzylpiperazin-1-yl)propan-1-one
CID 110478917
benzyl (3R)-3-(2-methylpropyl)piperazine-1-carboxylate;hydrochloride
CID 45072616
1-[(3R)-3-benzylpiperazin-1-yl]ethanone
CID 94985339
1-(3-benzylpiperazin-1-yl)ethanone;hydrochloride
CID 75366058
1-(3-benzylpiperazin-1-yl)butane-1,3-dione
CID 110477448
1-(3-benzylpiperazin-1-yl)butan-1-one
CID 82244330
1-(3-benzylpiperazin-1-yl)-2-(dimethylamino)ethanone
CID 82246230
benzyl (3R)-3-propan-2-ylpiperazine-1-carboxylate
CID 45072623
benzyl 3-(cyclopropyloxymethyl)piperazine-1-carboxylate
CID 175550665
3-benzyl-1-(2-methylpropyl)piperazine
CID 64833907
benzyl 3-(pent-4-enoxymethyl)piperazine-1-carboxylate
CID 170562977

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-benzylpiperazine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-benzylpiperazine-1-carboxylate (CID 82248433) is 2-methylpropyl 3-benzylpiperazine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-benzylpiperazine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-benzylpiperazine-1-carboxylate is CC(C)COC(=O)N1CCNC(Cc2ccccc2)C1.
What is the InChIKey of 2-methylpropyl 3-benzylpiperazine-1-carboxylate?
The InChIKey is ZIBVPMAWPLTBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-13(2)12-20-16(19)18-9-8-17-15(11-18)10-14-6-4-3-5-7-14/h3-7,13,15,17H,8-12H2,1-2H3.
What are the key properties of 2-methylpropyl 3-benzylpiperazine-1-carboxylate?
2-methylpropyl 3-benzylpiperazine-1-carboxylate has a molecular weight of 276.38 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-benzylpiperazine-1-carboxylate is sourced from PubChem (CID 82248433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).