tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate

C15H24N2O2 — CID 57425738

IUPACtert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C#N)(CC2CC2)CC1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-8-6-15(11-16,7-9-17)10-12-4-5-12/h12H,4-10H2,1-3H3
InChIKeyILNVEWHRASLBNI-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate

tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate (PubChem CID 57425738) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
PubChem CID57425738
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Nametert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C#N)(CC2CC2)CC1
InChIInChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-8-6-15(11-16,7-9-17)10-12-4-5-12/h12H,4-10H2,1-3H3
InChIKeyILNVEWHRASLBNI-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-cyano-4-[[(2R)-oxiran-2-yl]methyl]piperidine-1-carboxylate
CID 125451649
tert-butyl 4-amino-4-(cyclopropylmethyl)piperidine-1-carboxylate
CID 86276716
4-(cyclopropylmethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 21061045
tert-butyl (3S)-3-cyano-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 125129469
tert-butyl 4-cyano-4-methylpiperidine-1-carboxylate
CID 46835621
tert-butyl 4-cyano-4-[(2-cyclopropylphenyl)methyl]piperidine-1-carboxylate
CID 155344117
tert-butyl 2-cyano-2-(cyclopropylmethyl)piperidine-1-carboxylate
CID 172909035
tert-butyl 3-(chlorosulfonylmethyl)-3-cyanopyrrolidine-1-carboxylate
CID 139026711
tert-butyl 4-[(4-chlorophenyl)methyl]-4-cyanopiperidine-1-carboxylate;tert-butyl 4-cyanopiperidine-1-carboxylate
CID 161437223
tert-butyl 4-(aminomethyl)-4-(cyclobutylmethyl)piperidine-1-carboxylate
CID 86276705
tert-butyl 3-carbonochloridoyl-3-(cyclopropylmethyl)pyrrolidine-1-carboxylate
CID 59569583
tert-butyl 4-hydroxy-4-(piperidin-4-ylmethyl)piperidine-1-carboxylate
CID 168999917

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate (CID 57425738) is tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C#N)(CC2CC2)CC1.
What is the InChIKey of tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate?
The InChIKey is ILNVEWHRASLBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-14(2,3)19-13(18)17-8-6-15(11-16,7-9-17)10-12-4-5-12/h12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate?
tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyano-4-(cyclopropylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 57425738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).