tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate

C20H27N3O2 — CID 130377904

IUPACtert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(N)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)23-12-10-14(11-13-23)22-18-9-8-17(21)15-6-4-5-7-16(15)18/h4-9,14,22H,10-13,21H2,1-3H3
InChIKeyJGPAZPORDGBMHL-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.23
Rot. Bonds2

About tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate

tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate (PubChem CID 130377904) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
PubChem CID130377904
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nametert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(Nc2ccc(N)c3ccccc23)CC1
InChIInChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)23-12-10-14(11-13-23)22-18-9-8-17(21)15-6-4-5-7-16(15)18/h4-9,14,22H,10-13,21H2,1-3H3
InChIKeyJGPAZPORDGBMHL-UHFFFAOYSA-N
XLogP4.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(4-amino-2-fluoroanilino)piperidine-1-carboxylate
CID 68671753
tert-butyl 4-(2-amino-5-cyanoanilino)piperidine-1-carboxylate
CID 118209077
tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020
tert-butyl 4-(2-amino-3,5-difluoroanilino)piperidine-1-carboxylate
CID 89230805
tert-butyl 4-[4-amino-3-(trifluoromethyl)anilino]piperidine-1-carboxylate
CID 89025289
tert-butyl 4-(2-chloro-4-methylanilino)piperidine-1-carboxylate
CID 103618172
tert-butyl 4-(2-amino-6-fluorophenoxy)piperidine-1-carboxylate
CID 53255951
tert-butyl 4-[(5-amino-2-chloro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 163220289
tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate
CID 168701779
2-fluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 59006330
tert-butyl 4-(4-bromo-2-cyanoanilino)piperidine-1-carboxylate
CID 67188470

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate (CID 130377904) is tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(Nc2ccc(N)c3ccccc23)CC1.
What is the InChIKey of tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate?
The InChIKey is JGPAZPORDGBMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2,3)25-19(24)23-12-10-14(11-13-23)22-18-9-8-17(21)15-6-4-5-7-16(15)18/h4-9,14,22H,10-13,21H2,1-3H3.
What are the key properties of tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate?
tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate has a molecular weight of 341.46 g/mol, XLogP of 4.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 130377904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).