tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate

C18H28N2O2 — CID 95242183

IUPACtert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
SMILESC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14-10-11-16(19-17(21)22-18(2,3)4)13-20(14)12-15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,19,21)/t14-,16-/m0/s1
InChIKeyMIEJVQLUIIUQIQ-HOCLYGCPSA-N
MW304.43 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate

tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate (PubChem CID 95242183) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
PubChem CID95242183
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
SMILESC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccccc1
InChIInChI=1S/C18H28N2O2/c1-14-10-11-16(19-17(21)22-18(2,3)4)13-20(14)12-15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,19,21)/t14-,16-/m0/s1
InChIKeyMIEJVQLUIIUQIQ-HOCLYGCPSA-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

2-[(2S,5S)-1-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetic acid
CID 69020418
ethyl 2-[(2R,5R)-1-benzyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-2-yl]acetate
CID 86624144
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
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
benzyl (2S,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 118115737
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[(3R)-1-[(4-benzoylphenyl)methyl]pyrrolidin-3-yl]carbamate
CID 141133499
tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
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-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate (CID 95242183) is tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate is C[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CN1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate?
The InChIKey is MIEJVQLUIIUQIQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-10-11-16(19-17(21)22-18(2,3)4)13-20(14)12-15-8-6-5-7-9-15/h5-9,14,16H,10-13H2,1-4H3,(H,19,21)/t14-,16-/m0/s1.
What are the key properties of tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S,6S)-1-benzyl-6-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-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 95242183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).