benzyl 1,4-dimethylpiperidine-4-carboxylate

C15H21NO2 — CID 21050575

IUPACbenzyl 1,4-dimethylpiperidine-4-carboxylate
SMILESCN1CCC(C)(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-15(8-10-16(2)11-9-15)14(17)18-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyZYZRTXBFGFQQDR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.46
Rot. Bonds3

About benzyl 1,4-dimethylpiperidine-4-carboxylate

benzyl 1,4-dimethylpiperidine-4-carboxylate (PubChem CID 21050575) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is benzyl 1,4-dimethylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1,4-dimethylpiperidine-4-carboxylate
PubChem CID21050575
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Namebenzyl 1,4-dimethylpiperidine-4-carboxylate
SMILESCN1CCC(C)(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C15H21NO2/c1-15(8-10-16(2)11-9-15)14(17)18-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3
InChIKeyZYZRTXBFGFQQDR-UHFFFAOYSA-N
XLogP2.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzyl 1,3,6-trimethylazepane-3,6-dicarboxylate
CID 167239709
(3R)-3-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
CID 71814981
1-O-benzyl 3-O-methyl (3S)-3-methylpyrrolidine-1,3-dicarboxylate
CID 97294876
benzyl 1-[(1S)-1-hydroxyethyl]cyclopropane-1-carboxylate
CID 171991539
benzyl 6-butan-2-yl-1,3,6-trimethyl-7-oxoazepane-3-carboxylate
CID 167239523
benzyl 3-cyano-1,3-dimethylcyclobutane-1-carboxylate
CID 146204157
benzyl 5-acetamido-1,5-dimethylcycloundecane-1-carboxylate
CID 167189234
1-O-benzyl 4-O-tert-butyl 1-methylcyclohexane-1,4-dicarboxylate
CID 118208088
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
benzyl (1-methylpiperidin-4-yl) carbonate
CID 58676243
benzyl acetate
CID 8785
4-[(1,3-dimethylpyrrolidine-3-carbonyl)oxymethyl]-2,6-bis(6-phenylmethoxyhexyl)heptanedioic acid
CID 175788553

Frequently Asked Questions

What is the IUPAC name of benzyl 1,4-dimethylpiperidine-4-carboxylate?
The IUPAC name of benzyl 1,4-dimethylpiperidine-4-carboxylate (CID 21050575) is benzyl 1,4-dimethylpiperidine-4-carboxylate.
What is the SMILES notation for benzyl 1,4-dimethylpiperidine-4-carboxylate?
The canonical SMILES for benzyl 1,4-dimethylpiperidine-4-carboxylate is CN1CCC(C)(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 1,4-dimethylpiperidine-4-carboxylate?
The InChIKey is ZYZRTXBFGFQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-15(8-10-16(2)11-9-15)14(17)18-12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3.
What are the key properties of benzyl 1,4-dimethylpiperidine-4-carboxylate?
benzyl 1,4-dimethylpiperidine-4-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1,4-dimethylpiperidine-4-carboxylate is sourced from PubChem (CID 21050575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).