tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate

C12H24N2O2 — CID 97007606

IUPACtert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
SMILESC[C@H]1CNC[C@@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-10(7-13-6-9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyWIBUZVNGCRFGHO-ZJUUUORDSA-N
MW228.34 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate

tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate (PubChem CID 97007606) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
PubChem CID97007606
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate
SMILESC[C@H]1CNC[C@@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-9-5-10(7-13-6-9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyWIBUZVNGCRFGHO-ZJUUUORDSA-N
XLogP1.76
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[(1R,3S)-3-methylcyclohexyl]methyl]carbamate
CID 171338256
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[[(1R,5R)-9-hydroxy-3-azabicyclo[3.3.1]nonan-7-yl]methyl]carbamate
CID 98124763
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[(3-aminooxycyclobutyl)methyl]carbamate
CID 22408679
tert-butyl N-[3-(azetidin-3-yl)-2,2-dimethylpropyl]carbamate
CID 154577118
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
tert-butyl N-[(6-tert-butylpiperidin-3-yl)methyl]carbamate
CID 105422427
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
acetic acid;tert-butyl N-(cyclohexylmethyl)carbamate
CID 18446943

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate (CID 97007606) is tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate is C[C@H]1CNC[C@@H](CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate?
The InChIKey is WIBUZVNGCRFGHO-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-5-10(7-13-6-9)8-14-11(15)16-12(2,3)4/h9-10,13H,5-8H2,1-4H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3S,5R)-5-methylpiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 97007606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).