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

C17H25NO3 — CID 11818626

IUPACtert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3
InChIKeyGBCKEAHSRQIJGG-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.37
Rot. Bonds2

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

tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate (PubChem CID 11818626) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
PubChem CID11818626
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Nametert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(O)c2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3
InChIKeyGBCKEAHSRQIJGG-UHFFFAOYSA-N
XLogP3.37
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(S)-hydroxy-[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboxylate
CID 86336771
tert-butyl 4-[hydroxy-(6-methyl-3-pyridinyl)methyl]piperidine-1-carboxylate;ethane
CID 163385940
tert-butyl 4-[(2S)-2-amino-2-phenylethyl]piperidine-1-carboxylate
CID 124671052
tert-butyl 4-(2,2-diphenylacetyl)piperazine-1-carboxylate
CID 16617188
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
tert-butyl 4-[(S)-(4-methylsulfonylphenyl)-phenylmethyl]piperidine-1-carboxylate
CID 155162949
tert-butyl 4-[hydroxy-(2-phenylmethoxyphenyl)methyl]piperidine-1-carboxylate
CID 134346134
tert-butyl 4-[4-[hydroxy-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]naphthalen-1-yl]piperazine-1-carboxylate
CID 130377936
tert-butyl 4-(1-phenylbutylcarbamoyl)piperidine-1-carboxylate
CID 43017509
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461
tert-butyl 3-[amino(phenyl)methyl]piperidine-1-carboxylate
CID 102537949

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate (CID 11818626) is tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate?
The InChIKey is GBCKEAHSRQIJGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(2,3)21-16(20)18-11-9-14(10-12-18)15(19)13-7-5-4-6-8-13/h4-8,14-15,19H,9-12H2,1-3H3.
What are the key properties of tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate?
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate has a molecular weight of 291.39 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 11818626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).