benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate

C15H18N2O2 — CID 177327268

IUPACbenzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
SMILESN#CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H18N2O2/c16-9-8-13-7-4-10-17(11-13)15(18)19-12-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-8,10-12H2/t13-/m1/s1
InChIKeyJATRZMZSBYRSNA-CYBMUJFWSA-N
MW258.32 g/mol
LogP2.95
Rot. Bonds3

About benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate

benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate (PubChem CID 177327268) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
PubChem CID177327268
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Namebenzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
SMILESN#CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C15H18N2O2/c16-9-8-13-7-4-10-17(11-13)15(18)19-12-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-8,10-12H2/t13-/m1/s1
InChIKeyJATRZMZSBYRSNA-CYBMUJFWSA-N
XLogP2.95
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl (3R)-3-(3-bromopropyl)piperidine-1-carboxylate
CID 97170477
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
(1-phenylmethoxycarbonylpiperidin-3-yl)methanesulfonic acid
CID 54551842
benzyl (3R)-3-(3-chloropropyl)piperidine-1-carboxylate
CID 97166701
benzyl 3-(ethenoxymethyl)piperidine-1-carboxylate
CID 118182040
ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 135397207
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
dibenzyl (2S)-2-(cyanomethyl)piperazine-1,4-dicarboxylate
CID 169084564
benzyl 3-[(trifluoromethylamino)methyl]piperidine-1-carboxylate
CID 71648887
benzyl 3-[[(2-chloroacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564725

Frequently Asked Questions

What is the IUPAC name of benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
The IUPAC name of benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate (CID 177327268) is benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate is N#CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
The InChIKey is JATRZMZSBYRSNA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H18N2O2/c16-9-8-13-7-4-10-17(11-13)15(18)19-12-14-5-2-1-3-6-14/h1-3,5-6,13H,4,7-8,10-12H2/t13-/m1/s1.
What are the key properties of benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 177327268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).