methyl (3S)-3-methylpiperidine-3-carboxylate

C8H15NO2 — CID 52644166

IUPACmethyl (3S)-3-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C)CCCNC1
InChIInChI=1S/C8H15NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQWGSXOQEGUGWMA-QMMMGPOBSA-N
MW157.21 g/mol
LogP0.55
Rot. Bonds1

About methyl (3S)-3-methylpiperidine-3-carboxylate

methyl (3S)-3-methylpiperidine-3-carboxylate (PubChem CID 52644166) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is methyl (3S)-3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-3-methylpiperidine-3-carboxylate
PubChem CID52644166
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Namemethyl (3S)-3-methylpiperidine-3-carboxylate
SMILESCOC(=O)[C@@]1(C)CCCNC1
InChIInChI=1S/C8H15NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyQWGSXOQEGUGWMA-QMMMGPOBSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
oxetan-3-yl 3-methylpiperidine-3-carboxylate
CID 102606693
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
methyl (3R)-3-hydroxypiperidine-3-carboxylate
CID 86334558
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
methyl 3-methoxypiperidine-3-carboxylate
CID 165438540
3-methylpiperidine-3-carbohydrazide
CID 63991806
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595
methyl 2-[methyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131941
N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
N-(3-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 63130047

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-methylpiperidine-3-carboxylate?
The IUPAC name of methyl (3S)-3-methylpiperidine-3-carboxylate (CID 52644166) is methyl (3S)-3-methylpiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-3-methylpiperidine-3-carboxylate?
The canonical SMILES for methyl (3S)-3-methylpiperidine-3-carboxylate is COC(=O)[C@@]1(C)CCCNC1.
What is the InChIKey of methyl (3S)-3-methylpiperidine-3-carboxylate?
The InChIKey is QWGSXOQEGUGWMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H15NO2/c1-8(7(10)11-2)4-3-5-9-6-8/h9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of methyl (3S)-3-methylpiperidine-3-carboxylate?
methyl (3S)-3-methylpiperidine-3-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 52644166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).