tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate

C17H31NO2 — CID 162408382

IUPACtert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC1CCCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h14-15H,4-13H2,1-3H3
InChIKeyYMYSOCDCVGKEPH-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.75
Rot. Bonds2

About tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate

tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate (PubChem CID 162408382) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate
PubChem CID162408382
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nametert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCCC1CC1CCCCC1
InChIInChI=1S/C17H31NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h14-15H,4-13H2,1-3H3
InChIKeyYMYSOCDCVGKEPH-UHFFFAOYSA-N
XLogP4.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate (CID 162408382) is tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCCC1CC1CCCCC1.
What is the InChIKey of tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate?
The InChIKey is YMYSOCDCVGKEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-17(2,3)20-16(19)18-12-8-7-11-15(18)13-14-9-5-4-6-10-14/h14-15H,4-13H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate?
tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate has a molecular weight of 281.44 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclohexylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 162408382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).