methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate

C14H19NO2 — CID 163219557

IUPACmethyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
SMILESCOC(=O)[C@H]1CCN(C)CC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-15-9-8-12(14(16)17-2)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyBECMETUEDNJRIY-UEWDXFNNSA-N
MW233.31 g/mol
LogP1.89
Rot. Bonds2

About methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate

methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate (PubChem CID 163219557) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
PubChem CID163219557
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namemethyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
SMILESCOC(=O)[C@H]1CCN(C)CC1c1ccccc1
InChIInChI=1S/C14H19NO2/c1-15-9-8-12(14(16)17-2)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m0/s1
InChIKeyBECMETUEDNJRIY-UEWDXFNNSA-N
XLogP1.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
bis(1-methyl-3-phenylpiperidin-4-yl) oxalate
CID 57154321
methyl 1-oxido-4-phenylpiperidine-3-carboxylate
CID 87687004
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl (3R,4S)-1-methyl-4-(2-methylphenyl)piperidine-3-carboxylate
CID 143099801
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
1-methyl-3-phenylpiperidin-4-ol;hydrochloride
CID 70615066
ethyl (3R)-3-(4-fluorophenyl)-1-methylpiperidine-4-carboxylate
CID 171400750
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 102551990
methyl (2R,3S)-1-methyl-2-phenylpiperidine-3-carboxylate
CID 150173428
(3S,4S)-N-cyclopropyl-1-methyl-4-phenylpyrrolidine-3-carboxamide
CID 100816182

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate?
The IUPAC name of methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate (CID 163219557) is methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate.
What is the SMILES notation for methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate?
The canonical SMILES for methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate is COC(=O)[C@H]1CCN(C)CC1c1ccccc1.
What is the InChIKey of methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate?
The InChIKey is BECMETUEDNJRIY-UEWDXFNNSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-9-8-12(14(16)17-2)13(10-15)11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate?
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate has a molecular weight of 233.31 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 163219557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).