[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate

C14H20N2O2 — CID 90281726

IUPAC[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate
SMILESC[C@@H]1C[C@H](OC(N)=O)CN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(18-14(15)17)10-16(8-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,17)/t11-,13+/m1/s1
InChIKeyVCVALXJVPFOMON-YPMHNXCESA-N
MW248.33 g/mol
LogP1.99
Rot. Bonds3

About [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate

[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate (PubChem CID 90281726) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate.

Molecular Properties

Compound Name[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate
PubChem CID90281726
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate
SMILESC[C@@H]1C[C@H](OC(N)=O)CN(Cc2ccccc2)C1
InChIInChI=1S/C14H20N2O2/c1-11-7-13(18-14(15)17)10-16(8-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,17)/t11-,13+/m1/s1
InChIKeyVCVALXJVPFOMON-YPMHNXCESA-N
XLogP1.99
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl) propanoate
CID 140794849
(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide
CID 99639603
(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-one
CID 56828035
(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
3-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]benzoic acid
CID 40801162
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
2-(1-benzylazetidin-3-yl)acetamide
CID 67172961
1-[(1-benzylpyrazol-4-yl)methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125500
(1-benzyl-4-hydroxypyrrolidin-3-yl) acetate
CID 139629969
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate?
The IUPAC name of [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate (CID 90281726) is [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate.
What is the SMILES notation for [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate?
The canonical SMILES for [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate is C[C@@H]1C[C@H](OC(N)=O)CN(Cc2ccccc2)C1.
What is the InChIKey of [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate?
The InChIKey is VCVALXJVPFOMON-YPMHNXCESA-N. The full InChI is InChI=1S/C14H20N2O2/c1-11-7-13(18-14(15)17)10-16(8-11)9-12-5-3-2-4-6-12/h2-6,11,13H,7-10H2,1H3,(H2,15,17)/t11-,13+/m1/s1.
What are the key properties of [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate?
[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate has a molecular weight of 248.33 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate is sourced from PubChem (CID 90281726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).