tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate

C18H28N2O2 — CID 134473416

IUPACtert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate
SMILESCN(C)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-10-15(11-13-20)14-6-8-16(9-7-14)19(4)5/h6-9,15H,10-13H2,1-5H3
InChIKeyCLTSSBGQHOLBQS-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.87
Rot. Bonds2

About tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate

tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate (PubChem CID 134473416) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate
PubChem CID134473416
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate
SMILESCN(C)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-10-15(11-13-20)14-6-8-16(9-7-14)19(4)5/h6-9,15H,10-13H2,1-5H3
InChIKeyCLTSSBGQHOLBQS-UHFFFAOYSA-N
XLogP3.87
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate (CID 134473416) is tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate is CN(C)c1ccc(C2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate?
The InChIKey is CLTSSBGQHOLBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-12-10-15(11-13-20)14-6-8-16(9-7-14)19(4)5/h6-9,15H,10-13H2,1-5H3.
What are the key properties of tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate?
tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate has a molecular weight of 304.43 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-(dimethylamino)phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 134473416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).