1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate

C12H23NO3 — CID 103489080

IUPAC1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate
SMILESCCOCC(C)OC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H23NO3/c1-4-15-8-10(2)16-11(14)12(3)6-5-7-13-9-12/h10,13H,4-9H2,1-3H3
InChIKeySVHKWLUCJKUTPI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds5

About 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate

1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate (PubChem CID 103489080) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate
PubChem CID103489080
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate
SMILESCCOCC(C)OC(=O)C1(C)CCCNC1
InChIInChI=1S/C12H23NO3/c1-4-15-8-10(2)16-11(14)12(3)6-5-7-13-9-12/h10,13H,4-9H2,1-3H3
InChIKeySVHKWLUCJKUTPI-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxypropan-2-yl 2-methylpyrrolidine-2-carboxylate
CID 103489015
ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
CID 91828144
ethyl (3S)-3-methylazepane-3-carboxylate
CID 124785367
methyl (3S)-3-methylpiperidine-3-carboxylate
CID 52644166
N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63142112
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-methylpiperidine-3-carboxylate
CID 104563034
1-(3-methylpiperidin-3-yl)-2-propoxyethanone
CID 116569485
cyclopropylmethyl 3-methylpiperidine-3-carboxylate
CID 63134595
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
1-ethoxypropan-2-yl piperidine-3-carboxylate
CID 103489226
N-(2-methoxypropyl)-3-methylpiperidine-3-carboxamide
CID 102694942
2,3-dimethyl-1-(3-methylpiperidin-3-yl)butan-1-one
CID 130729788

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate?
The IUPAC name of 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate (CID 103489080) is 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate.
What is the SMILES notation for 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate?
The canonical SMILES for 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate is CCOCC(C)OC(=O)C1(C)CCCNC1.
What is the InChIKey of 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate?
The InChIKey is SVHKWLUCJKUTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-15-8-10(2)16-11(14)12(3)6-5-7-13-9-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate?
1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 3-methylpiperidine-3-carboxylate is sourced from PubChem (CID 103489080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).