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

C19H30N2O3 — CID 54491063

IUPACtert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
SMILESCC(C)Oc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-14(2)23-17-8-6-15(7-9-17)20-16-10-12-21(13-11-16)18(22)24-19(3,4)5/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyXVTFEXKRRMFNMG-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.29
Rot. Bonds4

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

tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate (PubChem CID 54491063) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
PubChem CID54491063
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
SMILESCC(C)Oc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3/c1-14(2)23-17-8-6-15(7-9-17)20-16-10-12-21(13-11-16)18(22)24-19(3,4)5/h6-9,14,16,20H,10-13H2,1-5H3
InChIKeyXVTFEXKRRMFNMG-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(4-propan-2-yloxybenzoyl)piperidine-1-carboxylate
CID 154538792
tert-butyl 3-(4-methoxyanilino)pyrrolidine-1-carboxylate
CID 11150503
tert-butyl 4-[4-[2-(4-fluorophenoxy)ethyl]anilino]piperidine-1-carboxylate
CID 123845758
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 4-(3-methoxyanilino)piperidine-1-carboxylate
CID 22557965
tert-butyl 4-(pyrimidin-5-ylamino)piperidine-1-carboxylate
CID 67198211
tert-butyl 3-(4-butan-2-ylanilino)pyrrolidine-1-carboxylate
CID 103820851
tert-butyl (4S)-4-[4-(2-hydroxyethyl)anilino]azepane-1-carboxylate
CID 99853020
tert-butyl 4-[(3-amino-6-propan-2-yloxy-2-pyridinyl)amino]piperidine-1-carboxylate
CID 163381732
tert-butyl 3-[1-(4-propan-2-yloxyphenyl)ethylamino]azetidine-1-carboxylate
CID 113231793
tert-butyl 4-[4-(tetrazol-1-yl)anilino]piperidine-1-carboxylate
CID 18539221
tert-butyl 4-[4-amino-3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 89025289

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate (CID 54491063) is tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate is CC(C)Oc1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate?
The InChIKey is XVTFEXKRRMFNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-14(2)23-17-8-6-15(7-9-17)20-16-10-12-21(13-11-16)18(22)24-19(3,4)5/h6-9,14,16,20H,10-13H2,1-5H3.
What are the key properties of tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate?
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate has a molecular weight of 334.46 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate is sourced from PubChem (CID 54491063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).