tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate

C19H30N2O2 — CID 99723977

IUPACtert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14-11-12-17(20-18(22)23-19(3,4)5)15(2)21(14)13-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22)/t14-,15-,17+/m1/s1
InChIKeyIBDBUXNMQVARBX-INMHGKMJSA-N
MW318.46 g/mol
LogP3.95
Rot. Bonds3

About tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate

tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate (PubChem CID 99723977) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
PubChem CID99723977
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate
SMILESC[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1
InChIInChI=1S/C19H30N2O2/c1-14-11-12-17(20-18(22)23-19(3,4)5)15(2)21(14)13-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22)/t14-,15-,17+/m1/s1
InChIKeyIBDBUXNMQVARBX-INMHGKMJSA-N
XLogP3.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S,3R)-1-benzyl-2-methylpiperidin-3-yl]carbamate
CID 95242120
tert-butyl N-(1-benzyl-2,4,6-trimethylpiperidin-3-yl)carbamate
CID 54593744
tert-butyl N-[(2R,3R,4R)-1-benzyl-2,3-dimethylpiperidin-4-yl]carbamate
CID 124526422
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060
tert-butyl N-[(3R,4S,6R)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 95242142
tert-butyl N-[(3S,4R,6S)-1-benzyl-4,6-dimethylpiperidin-3-yl]carbamate
CID 124710264
tert-butyl N-[(3S,6S)-1-benzyl-6-methylpiperidin-3-yl]carbamate
CID 95242183
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
CID 123824709

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate (CID 99723977) is tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate is C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)N1Cc1ccccc1.
What is the InChIKey of tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate?
The InChIKey is IBDBUXNMQVARBX-INMHGKMJSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14-11-12-17(20-18(22)23-19(3,4)5)15(2)21(14)13-16-9-7-6-8-10-16/h6-10,14-15,17H,11-13H2,1-5H3,(H,20,22)/t14-,15-,17+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate?
tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3S,6R)-1-benzyl-2,6-dimethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 99723977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).