benzyl piperidine-4-carboxylate;ethanol

C15H23NO3 — CID 158740080

IUPACbenzyl piperidine-4-carboxylate;ethanol
SMILESCCO.O=C(OCc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H17NO2.C2H6O/c15-13(12-6-8-14-9-7-12)16-10-11-4-2-1-3-5-11;1-2-3/h1-5,12,14H,6-10H2;3H,2H2,1H3
InChIKeyIMEJJMAUPVLSMP-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.73
Rot. Bonds3

About benzyl piperidine-4-carboxylate;ethanol

benzyl piperidine-4-carboxylate;ethanol (PubChem CID 158740080) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is benzyl piperidine-4-carboxylate;ethanol.

Molecular Properties

Compound Namebenzyl piperidine-4-carboxylate;ethanol
PubChem CID158740080
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namebenzyl piperidine-4-carboxylate;ethanol
SMILESCCO.O=C(OCc1ccccc1)C1CCNCC1
InChIInChI=1S/C13H17NO2.C2H6O/c15-13(12-6-8-14-9-7-12)16-10-11-4-2-1-3-5-11;1-2-3/h1-5,12,14H,6-10H2;3H,2H2,1H3
InChIKeyIMEJJMAUPVLSMP-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-methylpiperidine-4-carboxylate
CID 58583746
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
benzyl spiro[2.5]octane-6-carboxylate
CID 66817825
(3-ethylphenyl)methyl cyclopropanecarboxylate
CID 137495375
(2-fluorophenyl)methyl piperidine-4-carboxylate
CID 63933211
phenylmethoxycarbonylamino pyrrolidine-3-carboxylate
CID 175425879
benzyl 1,2-diazaspiro[3.5]nonane-7-carboxylate
CID 175911999
(3R)-3,5-bis(phenylmethoxycarbonyl)cyclohexane-1-carboxylic acid
CID 143048104
benzyl 4-formylcyclohexane-1-carboxylate;benzyl 4-(hydroxymethyl)cyclohexane-1-carboxylate;dichloromethane
CID 157283088

Frequently Asked Questions

What is the IUPAC name of benzyl piperidine-4-carboxylate;ethanol?
The IUPAC name of benzyl piperidine-4-carboxylate;ethanol (CID 158740080) is benzyl piperidine-4-carboxylate;ethanol.
What is the SMILES notation for benzyl piperidine-4-carboxylate;ethanol?
The canonical SMILES for benzyl piperidine-4-carboxylate;ethanol is CCO.O=C(OCc1ccccc1)C1CCNCC1.
What is the InChIKey of benzyl piperidine-4-carboxylate;ethanol?
The InChIKey is IMEJJMAUPVLSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C2H6O/c15-13(12-6-8-14-9-7-12)16-10-11-4-2-1-3-5-11;1-2-3/h1-5,12,14H,6-10H2;3H,2H2,1H3.
What are the key properties of benzyl piperidine-4-carboxylate;ethanol?
benzyl piperidine-4-carboxylate;ethanol has a molecular weight of 265.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl piperidine-4-carboxylate;ethanol is sourced from PubChem (CID 158740080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).