tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate

C17H26N2O2 — CID 102537949

IUPACtert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-14(12-19)15(18)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3
InChIKeyWZTOZCUIWGDBRT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.33
Rot. Bonds2

About tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate

tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate (PubChem CID 102537949) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
PubChem CID102537949
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(C(N)c2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-14(12-19)15(18)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3
InChIKeyWZTOZCUIWGDBRT-UHFFFAOYSA-N
XLogP3.33
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-[amino-(4-methylphenyl)methyl]pyrrolidine-1-carboxylate
CID 105422160
4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855984
tert-butyl (3R)-3-(1-phenylethylamino)piperidine-1-carboxylate
CID 174899378
tert-butyl (3R)-3-[(R)-(3-chlorophenyl)-hydroxymethyl]piperidine-1-carboxylate
CID 44555022
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256
4-[fluoro-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]methyl]benzoic acid
CID 83855983
tert-butyl 3-phenylpiperidine-1-carboxylate
CID 57440165
tert-butyl 3-[hydroxy-(4-methoxyphenyl)methyl]piperidine-1-carboxylate
CID 73304645
tert-butyl 3-[1-(3-chlorophenyl)ethyl]piperidine-1-carboxylate
CID 143486993
tert-butyl 3-[2-methylsulfonyloxyethoxy(phenyl)methyl]piperidine-1-carboxylate
CID 58011497
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 3-(1-isocyanoethyl)piperidine-1-carboxylate
CID 84727790

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate (CID 102537949) is tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(C(N)c2ccccc2)C1.
What is the InChIKey of tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate?
The InChIKey is WZTOZCUIWGDBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-11-7-10-14(12-19)15(18)13-8-5-4-6-9-13/h4-6,8-9,14-15H,7,10-12,18H2,1-3H3.
What are the key properties of tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate?
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate has a molecular weight of 290.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 102537949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).