methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate

C17H23NO2 — CID 176650201

IUPACmethyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(Cc2ccccc2)[C@H](C2CC2)C1
InChIInChI=1S/C17H23NO2/c1-20-17(19)15-9-10-18(16(11-15)14-7-8-14)12-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3/t15-,16+/m1/s1
InChIKeyGVMZJHAUTKWIQN-CVEARBPZSA-N
MW273.38 g/mol
LogP2.85
Rot. Bonds4

About methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate

methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate (PubChem CID 176650201) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate
PubChem CID176650201
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Namemethyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCN(Cc2ccccc2)[C@H](C2CC2)C1
InChIInChI=1S/C17H23NO2/c1-20-17(19)15-9-10-18(16(11-15)14-7-8-14)12-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3/t15-,16+/m1/s1
InChIKeyGVMZJHAUTKWIQN-CVEARBPZSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate 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

1-benzyl-2,3,3a,4,5,6,7,7a-octahydroindole-6-carboxylic acid
CID 82380236
methyl (2S)-1-benzylazetidine-2-carboxylate
CID 12727480
methyl (2R)-1-benzylazetidine-2-carboxylate
CID 10976617
[(2S,4R)-1-benzyl-2-cyclopropylpiperidin-4-yl]methanol
CID 176706114
methyl (2S,3S)-1-benzyl-3-hydroxypyrrolidine-2-carboxylate
CID 57385727
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 1-benzylpyrrolidine-2-carboxylate
CID 562947
methyl (1S,5R)-8-benzyl-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 129394412
methyl (2R,3S,4R)-1-benzyl-4-hydroxy-2-methylpiperidine-3-carboxylate
CID 129407469
methyl (2S,4S)-4-acetyl-1-benzylpyrrolidine-2-carboxylate
CID 129390617
methyl 1-benzyl-2-deuteriopyrrolidine-2-carboxylate
CID 132570943
1-[(2R)-2-[(2S)-1-benzylpyrrolidin-2-yl]pyrrolidin-1-yl]-2-methoxyethanone
CID 95160991

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate?
The IUPAC name of methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate (CID 176650201) is methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate.
What is the SMILES notation for methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate?
The canonical SMILES for methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate is COC(=O)[C@@H]1CCN(Cc2ccccc2)[C@H](C2CC2)C1.
What is the InChIKey of methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate?
The InChIKey is GVMZJHAUTKWIQN-CVEARBPZSA-N. The full InChI is InChI=1S/C17H23NO2/c1-20-17(19)15-9-10-18(16(11-15)14-7-8-14)12-13-5-3-2-4-6-13/h2-6,14-16H,7-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate?
methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate has a molecular weight of 273.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-1-benzyl-2-cyclopropylpiperidine-4-carboxylate is sourced from PubChem (CID 176650201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).