tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate

C20H32N2O3 — CID 67306918

IUPACtert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate
SMILESCC(C)C(c1ccccc1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1
InChIInChI=1S/C20H32N2O3/c1-14(2)18(15-9-7-6-8-10-15)22-12-11-16(17(23)13-22)21-19(24)25-20(3,4)5/h6-10,14,16-18,23H,11-13H2,1-5H3,(H,21,24)/t16-,17-,18?/m1/s1
InChIKeyMYSOFBHQAHZHKY-OWZOALSMSA-N
MW348.49 g/mol
LogP3.34
Rot. Bonds4

About tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate

tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate (PubChem CID 67306918) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate
PubChem CID67306918
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate
SMILESCC(C)C(c1ccccc1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1
InChIInChI=1S/C20H32N2O3/c1-14(2)18(15-9-7-6-8-10-15)22-12-11-16(17(23)13-22)21-19(24)25-20(3,4)5/h6-10,14,16-18,23H,11-13H2,1-5H3,(H,21,24)/t16-,17-,18?/m1/s1
InChIKeyMYSOFBHQAHZHKY-OWZOALSMSA-N
XLogP3.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[[3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-phenylmethyl] carbonochloridate
CID 174805562
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetic acid
CID 124704828
tert-butyl N-[(3R,4S)-3-hydroxy-1-methylpiperidin-4-yl]carbamate
CID 167292263
ethyl N-[3-hydroxy-1-(1-phenylpropyl)piperidin-4-yl]carbamate
CID 67307313
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-(1-benzhydrylazetidin-3-yl)carbamate;hydrochloride
CID 170994169
ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-1-yl]-2-phenylacetate
CID 135312159
tert-butyl N-[2-(2-phenylpropylamino)cyclopropyl]carbamate
CID 107238153
benzyl (3R,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 59753506
tert-butyl N-[(1S,3S,4S)-3-hydroxy-4-[[(1S)-1-phenylethyl]amino]cyclohexyl]carbamate
CID 126613815
tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
CID 134435069
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate (CID 67306918) is tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate is CC(C)C(c1ccccc1)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](O)C1.
What is the InChIKey of tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate?
The InChIKey is MYSOFBHQAHZHKY-OWZOALSMSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)18(15-9-7-6-8-10-15)22-12-11-16(17(23)13-22)21-19(24)25-20(3,4)5/h6-10,14,16-18,23H,11-13H2,1-5H3,(H,21,24)/t16-,17-,18?/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate?
tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-3-hydroxy-1-(2-methyl-1-phenylpropyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 67306918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).