methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate

C9H17NO2 — CID 145048176

IUPACmethyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](C)C[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-7-4-5-10(8(2)6-7)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyMGVABTMLUQIEOV-SFYZADRCSA-N
MW171.24 g/mol
LogP1.87
Rot. Bonds

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

methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate (PubChem CID 145048176) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
PubChem CID145048176
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Namemethyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](C)C[C@@H]1C
InChIInChI=1S/C9H17NO2/c1-7-4-5-10(8(2)6-7)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyMGVABTMLUQIEOV-SFYZADRCSA-N
XLogP1.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2,4-dimethylpiperidine-1-carboxylate
CID 115643665
ethane;methyl 4-methoxy-2-methylpiperidine-1-carboxylate
CID 164564582
methyl (2S,4R)-2-cyano-4-methylpiperidine-1-carboxylate
CID 25198036
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-methoxyethanone
CID 130690746
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
4-[(2,4-dimethylpiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 62331638
methyl 4-(3-ethoxy-3-oxopropanoyl)-2-methylpiperidine-1-carboxylate
CID 66731991
methyl (2R,4R)-4-(3-ethoxy-3-oxopropanoyl)-2-methylpiperidine-1-carboxylate
CID 68503034
1-O-tert-butyl 2-O-methyl 4-methylpiperidine-1,2-dicarboxylate
CID 21032095
2,4-dimethyl-N-propylpiperidine-1-carboxamide
CID 115644943
1-(2,4-dimethylpiperidin-1-yl)-5-hydroxypentan-1-one
CID 79199279
dimethyl (2S,5S)-2,5-dimethylpiperazine-1,4-dicarboxylate
CID 756933

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate (CID 145048176) is methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate is COC(=O)N1CC[C@@H](C)C[C@@H]1C.
What is the InChIKey of methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate?
The InChIKey is MGVABTMLUQIEOV-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-4-5-10(8(2)6-7)9(11)12-3/h7-8H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate?
methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate has a molecular weight of 171.24 g/mol, XLogP of 1.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-2,4-dimethylpiperidine-1-carboxylate is sourced from PubChem (CID 145048176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).