benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate

C19H19N3O2 — CID 70918816

IUPACbenzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate
SMILESN#Cc1cccc(C2CCCN(C(=O)OCc3ccccc3)C2)n1
InChIInChI=1S/C19H19N3O2/c20-12-17-9-4-10-18(21-17)16-8-5-11-22(13-16)19(23)24-14-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11,13-14H2
InChIKeyJYCKIDRHBFSNFB-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.47
Rot. Bonds3

About benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate

benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate (PubChem CID 70918816) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate
PubChem CID70918816
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Namebenzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate
SMILESN#Cc1cccc(C2CCCN(C(=O)OCc3ccccc3)C2)n1
InChIInChI=1S/C19H19N3O2/c20-12-17-9-4-10-18(21-17)16-8-5-11-22(13-16)19(23)24-14-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11,13-14H2
InChIKeyJYCKIDRHBFSNFB-UHFFFAOYSA-N
XLogP3.47
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268
benzyl 3-(4-methoxyphenyl)azepane-1-carboxylate
CID 121147148
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3R)-4-amino-3-hydroxyazepane-1-carboxylate
CID 67555799
benzyl (3R,4R)-4-fluoro-3-hydroxyazepane-1-carboxylate
CID 118230294
benzyl 3-azabicyclo[5.1.0]octane-3-carboxylate
CID 141040263
benzyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
CID 171373542
benzyl 3-(5-chloro-2-pyridinyl)pyrrolidine-1-carboxylate
CID 130472322
benzyl 3-(7-amino-3-cyclopropylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 23539625
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253
benzyl (1R,7S)-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 89171157

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate (CID 70918816) is benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate is N#Cc1cccc(C2CCCN(C(=O)OCc3ccccc3)C2)n1.
What is the InChIKey of benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate?
The InChIKey is JYCKIDRHBFSNFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c20-12-17-9-4-10-18(21-17)16-8-5-11-22(13-16)19(23)24-14-15-6-2-1-3-7-15/h1-4,6-7,9-10,16H,5,8,11,13-14H2.
What are the key properties of benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate?
benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(6-cyano-2-pyridinyl)piperidine-1-carboxylate is sourced from PubChem (CID 70918816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).