1-piperidin-1-ylpropan-2-yl 2-methylbenzoate

C16H23NO2 — CID 2928894

IUPAC1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OC(C)CN1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13-8-4-5-9-15(13)16(18)19-14(2)12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3
InChIKeyYQJJKSJSNOGUJF-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.03
Rot. Bonds4

About 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate

1-piperidin-1-ylpropan-2-yl 2-methylbenzoate (PubChem CID 2928894) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate.

Molecular Properties

Compound Name1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
PubChem CID2928894
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-piperidin-1-ylpropan-2-yl 2-methylbenzoate
SMILESCc1ccccc1C(=O)OC(C)CN1CCCCC1
InChIInChI=1S/C16H23NO2/c1-13-8-4-5-9-15(13)16(18)19-14(2)12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3
InChIKeyYQJJKSJSNOGUJF-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 2-chlorobenzoate
CID 755745
1-morpholin-4-ylpropan-2-yl 2-methylbenzoate chloride
CID 53347672
[(2R)-1-piperidin-1-ylpropan-2-yl] 2-iodobenzoate
CID 1327012
1-piperidin-1-ylpropan-2-yl 2-bromobenzoate
CID 2912544
1-piperidin-1-ylpropan-2-yl 2-methoxybenzoate;hydrochloride
CID 52998166
1-pyrrolidin-1-ylpropan-2-yl 4-methylbenzoate
CID 3152959
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 3070435
1-morpholin-4-ylpropan-2-yl 2-chlorobenzoate;hydrochloride
CID 2913162
1-piperidin-1-ylpropan-2-yl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;hydrochloride
CID 3070434
1-piperidin-1-ylpropan-2-yl 3,5-dimethylbenzoate
CID 71391258
2-piperidin-1-ylethyl 2-methylbenzoate;hydrochloride
CID 13478099
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate?
The IUPAC name of 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate (CID 2928894) is 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate.
What is the SMILES notation for 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate?
The canonical SMILES for 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate is Cc1ccccc1C(=O)OC(C)CN1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate?
The InChIKey is YQJJKSJSNOGUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13-8-4-5-9-15(13)16(18)19-14(2)12-17-10-6-3-7-11-17/h4-5,8-9,14H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate?
1-piperidin-1-ylpropan-2-yl 2-methylbenzoate has a molecular weight of 261.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylpropan-2-yl 2-methylbenzoate is sourced from PubChem (CID 2928894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).