phenyl 4-cyanopiperidine-1-carboxylate

C13H14N2O2 — CID 62077915

IUPACphenyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C13H14N2O2/c14-10-11-6-8-15(9-7-11)13(16)17-12-4-2-1-3-5-12/h1-5,11H,6-9H2
InChIKeyYWSMOZUSYZISJU-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.42
Rot. Bonds1

About phenyl 4-cyanopiperidine-1-carboxylate

phenyl 4-cyanopiperidine-1-carboxylate (PubChem CID 62077915) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is phenyl 4-cyanopiperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-cyanopiperidine-1-carboxylate
PubChem CID62077915
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namephenyl 4-cyanopiperidine-1-carboxylate
SMILESN#CC1CCN(C(=O)Oc2ccccc2)CC1
InChIInChI=1S/C13H14N2O2/c14-10-11-6-8-15(9-7-11)13(16)17-12-4-2-1-3-5-12/h1-5,11H,6-9H2
InChIKeyYWSMOZUSYZISJU-UHFFFAOYSA-N
XLogP2.42
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl 4-phenoxypiperidine-1-carboxylate
CID 110396730
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 4-(2-cyanoacetyl)piperazine-1-carboxylate
CID 108567480
phenyl 3-aminopyrrolidine-1-carboxylate
CID 62067214
phenyl 4-propylpiperidine-1-carboxylate
CID 64591892
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
phenyl 4-(methoxymethyl)piperidine-1-carboxylate
CID 63999252
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355
9H-fluoren-9-ylmethyl 4-cyanopiperidine-1-carboxylate
CID 2757965
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064

Frequently Asked Questions

What is the IUPAC name of phenyl 4-cyanopiperidine-1-carboxylate?
The IUPAC name of phenyl 4-cyanopiperidine-1-carboxylate (CID 62077915) is phenyl 4-cyanopiperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-cyanopiperidine-1-carboxylate?
The canonical SMILES for phenyl 4-cyanopiperidine-1-carboxylate is N#CC1CCN(C(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl 4-cyanopiperidine-1-carboxylate?
The InChIKey is YWSMOZUSYZISJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-10-11-6-8-15(9-7-11)13(16)17-12-4-2-1-3-5-12/h1-5,11H,6-9H2.
What are the key properties of phenyl 4-cyanopiperidine-1-carboxylate?
phenyl 4-cyanopiperidine-1-carboxylate has a molecular weight of 230.27 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-cyanopiperidine-1-carboxylate is sourced from PubChem (CID 62077915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).