tert-butyl 4-(4-aminopiperidin-1-yl)benzoate

C16H24N2O2 — CID 22557720

IUPACtert-butyl 4-(4-aminopiperidin-1-yl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)12-4-6-14(7-5-12)18-10-8-13(17)9-11-18/h4-7,13H,8-11,17H2,1-3H3
InChIKeyBVEJZHHXGQCGMY-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 4-(4-aminopiperidin-1-yl)benzoate

tert-butyl 4-(4-aminopiperidin-1-yl)benzoate (PubChem CID 22557720) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is tert-butyl 4-(4-aminopiperidin-1-yl)benzoate.

Molecular Properties

Compound Nametert-butyl 4-(4-aminopiperidin-1-yl)benzoate
PubChem CID22557720
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametert-butyl 4-(4-aminopiperidin-1-yl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCC(N)CC2)cc1
InChIInChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)12-4-6-14(7-5-12)18-10-8-13(17)9-11-18/h4-7,13H,8-11,17H2,1-3H3
InChIKeyBVEJZHHXGQCGMY-UHFFFAOYSA-N
XLogP2.57
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-(4-hydroxypiperidin-1-yl)benzoate;ethane
CID 156645380
4-(4-aminopiperidin-1-yl)benzoic acid
CID 18617654
tert-butyl 1-(4-methoxycarbonylphenyl)piperidine-4-carboxylate
CID 146819041
tert-butyl 4-(2-amino-4-methylpiperazin-1-yl)benzoate
CID 175124591
1-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]pyrrolidine-2-carboxylic acid
CID 140640776
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 3-[1-(4-methoxycarbonylphenyl)piperidin-4-yl]oxypyrrolidine-1-carboxylate
CID 155212132
tert-butyl 1-(4-hydroxyphenyl)piperidine-4-carboxylate
CID 69482474
methyl 4-[4-(2-iodoethyl)piperidin-1-yl]benzoate
CID 125468915
amino 4-pyrrolidin-1-ylbenzoate
CID 23055620
butyl 4-(4-ethylpiperidin-1-yl)benzoate
CID 156711589
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(4-aminopiperidin-1-yl)benzoate?
The IUPAC name of tert-butyl 4-(4-aminopiperidin-1-yl)benzoate (CID 22557720) is tert-butyl 4-(4-aminopiperidin-1-yl)benzoate.
What is the SMILES notation for tert-butyl 4-(4-aminopiperidin-1-yl)benzoate?
The canonical SMILES for tert-butyl 4-(4-aminopiperidin-1-yl)benzoate is CC(C)(C)OC(=O)c1ccc(N2CCC(N)CC2)cc1.
What is the InChIKey of tert-butyl 4-(4-aminopiperidin-1-yl)benzoate?
The InChIKey is BVEJZHHXGQCGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-16(2,3)20-15(19)12-4-6-14(7-5-12)18-10-8-13(17)9-11-18/h4-7,13H,8-11,17H2,1-3H3.
What are the key properties of tert-butyl 4-(4-aminopiperidin-1-yl)benzoate?
tert-butyl 4-(4-aminopiperidin-1-yl)benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(4-aminopiperidin-1-yl)benzoate is sourced from PubChem (CID 22557720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).