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

C10H16N2O2 — CID 135397207

IUPACethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](CC#N)C1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)12-7-3-4-9(8-12)5-6-11/h9H,2-5,7-8H2,1H3/t9-/m1/s1
InChIKeyHTBUCAMUSDZFAR-SECBINFHSA-N
MW196.25 g/mol
LogP1.77
Rot. Bonds2

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

ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate (PubChem CID 135397207) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
PubChem CID135397207
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC[C@H](CC#N)C1
InChIInChI=1S/C10H16N2O2/c1-2-14-10(13)12-7-3-4-9(8-12)5-6-11/h9H,2-5,7-8H2,1H3/t9-/m1/s1
InChIKeyHTBUCAMUSDZFAR-SECBINFHSA-N
XLogP1.77
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-aminopiperidine-1-carboxylate
CID 10103615
ethyl (3S)-3-(chloromethyl)piperidine-1-carboxylate
CID 124705532
benzyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 177327268
2-(1-prop-2-enoylpiperidin-3-yl)acetonitrile
CID 136572472
ethyl (3R)-3-(piperazin-1-ylmethyl)piperidine-1-carboxylate
CID 94830781
ethyl 3-(dimethylamino)piperidine-1-carboxylate
CID 63862577
4-(cyanomethyl)azepane-1-carboxylic acid
CID 67156015
butyl (3S)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 95473768
ethyl azetidine-1-carboxylate
CID 14088501
ethyl 3-(2-bromoacetyl)piperidine-1-carboxylate
CID 20814354
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
ethyl (3S,4S)-4-cyano-3-fluoropiperidine-1-carboxylate
CID 105452685

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
The IUPAC name of ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate (CID 135397207) is ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate is CCOC(=O)N1CCC[C@H](CC#N)C1.
What is the InChIKey of ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
The InChIKey is HTBUCAMUSDZFAR-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-2-14-10(13)12-7-3-4-9(8-12)5-6-11/h9H,2-5,7-8H2,1H3/t9-/m1/s1.
What are the key properties of ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate?
ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 135397207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).