2-methylpentyl 3-piperidin-4-yloxypropanoate

C14H27NO3 — CID 103284367

IUPAC2-methylpentyl 3-piperidin-4-yloxypropanoate
SMILESCCCC(C)COC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27NO3/c1-3-4-12(2)11-18-14(16)7-10-17-13-5-8-15-9-6-13/h12-13,15H,3-11H2,1-2H3
InChIKeyQOZMEXUSDWGHOQ-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.12
Rot. Bonds8

About 2-methylpentyl 3-piperidin-4-yloxypropanoate

2-methylpentyl 3-piperidin-4-yloxypropanoate (PubChem CID 103284367) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methylpentyl 3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Name2-methylpentyl 3-piperidin-4-yloxypropanoate
PubChem CID103284367
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methylpentyl 3-piperidin-4-yloxypropanoate
SMILESCCCC(C)COC(=O)CCOC1CCNCC1
InChIInChI=1S/C14H27NO3/c1-3-4-12(2)11-18-14(16)7-10-17-13-5-8-15-9-6-13/h12-13,15H,3-11H2,1-2H3
InChIKeyQOZMEXUSDWGHOQ-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
bis(2-methylpentyl) heptanedioate
CID 91718408
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
CID 103178763
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
5-O-(2-methylpentyl) 1-O-propyl pentanedioate
CID 91708244
N-butan-2-yl-N-methyl-3-piperidin-4-yloxypropanamide
CID 63875957
N-ethyl-N-(1-methoxypropan-2-yl)-3-piperidin-4-yloxypropanamide
CID 63876854
N-[2-(2-hydroxyethyl)pentyl]-3-piperidin-4-yloxypropanamide
CID 106116784
cyclopentyl 3-piperidin-4-yloxypropanoate
CID 55252240
propyl 2-piperidin-4-yloxyacetate
CID 63871576
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
3-piperidin-4-yloxy-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115905128

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 3-piperidin-4-yloxypropanoate?
The IUPAC name of 2-methylpentyl 3-piperidin-4-yloxypropanoate (CID 103284367) is 2-methylpentyl 3-piperidin-4-yloxypropanoate.
What is the SMILES notation for 2-methylpentyl 3-piperidin-4-yloxypropanoate?
The canonical SMILES for 2-methylpentyl 3-piperidin-4-yloxypropanoate is CCCC(C)COC(=O)CCOC1CCNCC1.
What is the InChIKey of 2-methylpentyl 3-piperidin-4-yloxypropanoate?
The InChIKey is QOZMEXUSDWGHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-3-4-12(2)11-18-14(16)7-10-17-13-5-8-15-9-6-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-methylpentyl 3-piperidin-4-yloxypropanoate?
2-methylpentyl 3-piperidin-4-yloxypropanoate has a molecular weight of 257.37 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 3-piperidin-4-yloxypropanoate is sourced from PubChem (CID 103284367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).