1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate

C19H27NO3 — CID 119033025

IUPAC1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate
SMILESCC(OC(=O)c1ccc(CN2CCCCC2)cc1)C1CCOC1
InChIInChI=1S/C19H27NO3/c1-15(18-9-12-22-14-18)23-19(21)17-7-5-16(6-8-17)13-20-10-3-2-4-11-20/h5-8,15,18H,2-4,9-14H2,1H3
InChIKeyVMYSWVXRVBIAMI-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.25
Rot. Bonds5

About 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate

1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate (PubChem CID 119033025) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate.

Molecular Properties

Compound Name1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate
PubChem CID119033025
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Name1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate
SMILESCC(OC(=O)c1ccc(CN2CCCCC2)cc1)C1CCOC1
InChIInChI=1S/C19H27NO3/c1-15(18-9-12-22-14-18)23-19(21)17-7-5-16(6-8-17)13-20-10-3-2-4-11-20/h5-8,15,18H,2-4,9-14H2,1H3
InChIKeyVMYSWVXRVBIAMI-UHFFFAOYSA-N
XLogP3.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
2-methylpropyl 4-(piperidin-1-ylmethyl)benzoate
CID 18710312
1-[4-[[4-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]piperazin-1-yl]ethanone
CID 119050603
4-(azepan-1-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 43921278
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidin-1-yl]-[4-(piperidin-1-ylmethyl)phenyl]methanone
CID 72923369
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 4-(piperidin-1-ylmethyl)benzoate
CID 27110198
4-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 106836390
2-methylpropanoyloxymethyl 4-(morpholin-4-ylmethyl)benzoate
CID 18710298
4-[(4-propan-2-ylpiperidin-1-yl)methyl]benzoic acid
CID 103498140
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-[1-(oxolan-3-yl)ethyl]-3-(pyrrolidin-1-ylmethyl)aniline
CID 115918177

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate?
The IUPAC name of 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate (CID 119033025) is 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate.
What is the SMILES notation for 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate?
The canonical SMILES for 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate is CC(OC(=O)c1ccc(CN2CCCCC2)cc1)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate?
The InChIKey is VMYSWVXRVBIAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3/c1-15(18-9-12-22-14-18)23-19(21)17-7-5-16(6-8-17)13-20-10-3-2-4-11-20/h5-8,15,18H,2-4,9-14H2,1H3.
What are the key properties of 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate?
1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate has a molecular weight of 317.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)ethyl 4-(piperidin-1-ylmethyl)benzoate is sourced from PubChem (CID 119033025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).