2-methylpropyl 3-piperidin-4-yloxypropanoate

C12H23NO3 — CID 63869912

IUPAC2-methylpropyl 3-piperidin-4-yloxypropanoate
SMILESCC(C)COC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-10(2)9-16-12(14)5-8-15-11-3-6-13-7-4-11/h10-11,13H,3-9H2,1-2H3
InChIKeyQMLNNIVPYGZDFD-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds6

About 2-methylpropyl 3-piperidin-4-yloxypropanoate

2-methylpropyl 3-piperidin-4-yloxypropanoate (PubChem CID 63869912) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methylpropyl 3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Name2-methylpropyl 3-piperidin-4-yloxypropanoate
PubChem CID63869912
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methylpropyl 3-piperidin-4-yloxypropanoate
SMILESCC(C)COC(=O)CCOC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-10(2)9-16-12(14)5-8-15-11-3-6-13-7-4-11/h10-11,13H,3-9H2,1-2H3
InChIKeyQMLNNIVPYGZDFD-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

2-methylpentyl 3-piperidin-4-yloxypropanoate
CID 103284367
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
CID 103178763
2-methylpropyl N-(2-piperidin-4-yloxyethyl)carbamate
CID 63871589
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
N-butan-2-yl-N-methyl-3-piperidin-4-yloxypropanamide
CID 63875957
3-methyl-2-(3-piperidin-4-yloxypropanoylamino)butanamide
CID 103920702
N-ethyl-N-(1-methoxypropan-2-yl)-3-piperidin-4-yloxypropanamide
CID 63876854
2-methylpropyl piperidin-4-ylmethyl carbonate
CID 79338526
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
2-methyl-N-[2-(3-piperidin-4-yloxypropanoylamino)ethyl]propanamide
CID 63904487

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-piperidin-4-yloxypropanoate?
The IUPAC name of 2-methylpropyl 3-piperidin-4-yloxypropanoate (CID 63869912) is 2-methylpropyl 3-piperidin-4-yloxypropanoate.
What is the SMILES notation for 2-methylpropyl 3-piperidin-4-yloxypropanoate?
The canonical SMILES for 2-methylpropyl 3-piperidin-4-yloxypropanoate is CC(C)COC(=O)CCOC1CCNCC1.
What is the InChIKey of 2-methylpropyl 3-piperidin-4-yloxypropanoate?
The InChIKey is QMLNNIVPYGZDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-10(2)9-16-12(14)5-8-15-11-3-6-13-7-4-11/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2-methylpropyl 3-piperidin-4-yloxypropanoate?
2-methylpropyl 3-piperidin-4-yloxypropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-piperidin-4-yloxypropanoate is sourced from PubChem (CID 63869912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).