tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate

C19H30N2O2 — CID 2764198

IUPACtert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate
SMILESCC(C)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)15-6-8-16(9-7-15)20-17-10-12-21(13-11-17)18(22)23-19(3,4)5/h6-9,14,17,20H,10-13H2,1-5H3
InChIKeyZQGATDGLYABDTH-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.62
Rot. Bonds3

About tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate

tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate (PubChem CID 2764198) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate
PubChem CID2764198
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate
SMILESCC(C)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O2/c1-14(2)15-6-8-16(9-7-15)20-17-10-12-21(13-11-17)18(22)23-19(3,4)5/h6-9,14,17,20H,10-13H2,1-5H3
InChIKeyZQGATDGLYABDTH-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate (CID 2764198) is tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate is CC(C)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate?
The InChIKey is ZQGATDGLYABDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(2)15-6-8-16(9-7-15)20-17-10-12-21(13-11-17)18(22)23-19(3,4)5/h6-9,14,17,20H,10-13H2,1-5H3.
What are the key properties of tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate?
tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-propan-2-ylanilino)piperidine-1-carboxylate is sourced from PubChem (CID 2764198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).