tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate

C15H24N2O2 — CID 172909035

IUPACtert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1(C#N)CC1CC1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-9-5-4-8-15(17,11-16)10-12-6-7-12/h12H,4-10H2,1-3H3
InChIKeyCMQTWEINXJYPIS-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate

tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate (PubChem CID 172909035) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate
PubChem CID172909035
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1(C#N)CC1CC1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-9-5-4-8-15(17,11-16)10-12-6-7-12/h12H,4-10H2,1-3H3
InChIKeyCMQTWEINXJYPIS-UHFFFAOYSA-N
XLogP3.47
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2R)-2-(2-chloroethyl)-2-cyanopyrrolidine-1-carboxylate
CID 86328278
tert-butyl (2R)-2-(3-chloropropyl)-2-cyanopyrrolidine-1-carboxylate
CID 124580118
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 57425738
tert-butyl 2-(cyclopropylmethyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 66688039
1-O-tert-butyl 2-O-methyl 2-cyanopiperidine-1,2-dicarboxylate
CID 102530085
tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl (2R,6R)-2-cyano-2-ethyl-6-methylpiperidine-1-carboxylate
CID 102209671
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
tert-butyl 2-ethynyl-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylate
CID 164521525
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
tert-butyl (2R)-2-(hydroxymethyl)-2-methylazepane-1-carboxylate
CID 129462520
(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-prop-2-ynylpiperidine-2-carboxylic acid
CID 164629562

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate (CID 172909035) is tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1(C#N)CC1CC1.
What is the InChIKey of tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate?
The InChIKey is CMQTWEINXJYPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-9-5-4-8-15(17,11-16)10-12-6-7-12/h12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate?
tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 172909035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).