tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate

C16H30N2O2 — CID 84812486

IUPACtert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCCC2)C(N)C1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-10-9-13(14(17)11-18)12-7-5-4-6-8-12/h12-14H,4-11,17H2,1-3H3
InChIKeyJTUBKJCRKYLTFH-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.15
Rot. Bonds1

About tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate

tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate (PubChem CID 84812486) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
PubChem CID84812486
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C2CCCCC2)C(N)C1
InChIInChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-10-9-13(14(17)11-18)12-7-5-4-6-8-12/h12-14H,4-11,17H2,1-3H3
InChIKeyJTUBKJCRKYLTFH-UHFFFAOYSA-N
XLogP3.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate
CID 167461657
tert-butyl 3-(aminomethyl)-4-cyclopropylpiperidine-1-carboxylate
CID 83919927
tert-butyl 4-cyclopentyl-3-methylpiperidine-1-carboxylate;propane-2,2-diol
CID 167461656
tert-butyl (3R,4S)-4-amino-3-cyclopropylpiperidine-1-carboxylate
CID 155905077
tert-butyl 3-(aminomethyl)-4-cyclohexylpyrrolidine-1-carboxylate
CID 84812489
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
tert-butyl 4-(2-aminoethyl)-3-cyclopentylpiperidine-1-carboxylate
CID 84815717
tert-butyl 3-[(1S,2R)-2-aminocyclopropyl]piperidine-1-carboxylate
CID 165489343
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
3-amino-4-cyclohexylpiperidine-1-carboxylic acid
CID 67192296
tert-butyl 4-(aminomethyl)-3-cyclopropylpiperidine-1-carboxylate
CID 84804780
tert-butyl (3R,4R)-4-amino-3-ethylpiperidine-1-carboxylate;hydrochloride
CID 127264231

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate (CID 84812486) is tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C2CCCCC2)C(N)C1.
What is the InChIKey of tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate?
The InChIKey is JTUBKJCRKYLTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-16(2,3)20-15(19)18-10-9-13(14(17)11-18)12-7-5-4-6-8-12/h12-14H,4-11,17H2,1-3H3.
What are the key properties of tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate?
tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-4-cyclohexylpiperidine-1-carboxylate is sourced from PubChem (CID 84812486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).