tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate

C18H28N2O2 — CID 95242120

IUPACtert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
SMILESC[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14-16(19-17(21)22-18(2,3)4)11-8-12-20(14)13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyHKNRFSKVNVFHFO-GOEBONIOSA-N
MW304.43 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate

tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate (PubChem CID 95242120) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
PubChem CID95242120
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
SMILESC[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14-16(19-17(21)22-18(2,3)4)11-8-12-20(14)13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,19,21)/t14-,16+/m0/s1
InChIKeyHKNRFSKVNVFHFO-GOEBONIOSA-N
XLogP3.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
tert-butyl N-[(2S)-1-benzylpyrrolidin-2-yl]carbamate
CID 10754954
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
CID 99723977
tert-butyl N-[(3S,4R,6S)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 124710264
tert-butyl N-[(3R,4S,6R)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 95242142
tert-butyl N-[(3R,3aR,6aR)-1-benzyl-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-3-yl]carbamate
CID 139740906
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
CID 95242183
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
CID 54593744

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate (CID 95242120) is tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate is C[C@H]1[C@H](NC(=O)OC(C)(C)C)CCCN1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate?
The InChIKey is HKNRFSKVNVFHFO-GOEBONIOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-16(19-17(21)22-18(2,3)4)11-8-12-20(14)13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,8,11-13H2,1-4H3,(H,19,21)/t14-,16+/m0/s1.
What are the key properties of tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate?
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 95242120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).