1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate

C17H25NO2 — CID 3060645

IUPAC1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate
SMILESCCN1CCCCC1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-18-12-8-7-11-16(18)13-14(2)20-17(19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3
InChIKeyYZVXCLPFWWTANH-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.50
Rot. Bonds5

About 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate

1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate (PubChem CID 3060645) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate.

Molecular Properties

Compound Name1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate
PubChem CID3060645
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate
SMILESCCN1CCCCC1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-3-18-12-8-7-11-16(18)13-14(2)20-17(19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3
InChIKeyYZVXCLPFWWTANH-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 446220
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CID 4942
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CID 656832
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CID 10770
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CID 644006
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CID 20395
CID 20395
CID 68600
CID 68600
CID 2826
CID 2826
CID 10767
CID 10767
CID 102426
CID 102426
CID 637578
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CID 65630
CID 65630

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate?
The IUPAC name of 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate (CID 3060645) is 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate.
What is the SMILES notation for 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate?
The canonical SMILES for 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate is CCN1CCCCC1CC(C)OC(=O)c1ccccc1.
What is the InChIKey of 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate?
The InChIKey is YZVXCLPFWWTANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-18-12-8-7-11-16(18)13-14(2)20-17(19)15-9-5-4-6-10-15/h4-6,9-10,14,16H,3,7-8,11-13H2,1-2H3.
What are the key properties of 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate?
1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate has a molecular weight of 275.39 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-2-yl)propan-2-yl benzoate is sourced from PubChem (CID 3060645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).