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

C16H23NO2 — CID 3060642

IUPAC1-(1-methylpiperidin-2-yl)propan-2-yl benzoate
SMILESCC(CC1CCCCN1C)OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(12-15-10-6-7-11-17(15)2)19-16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyWSSPDZUUCQASLV-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.11
Rot. Bonds4

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

1-(1-methylpiperidin-2-yl)propan-2-yl benzoate (PubChem CID 3060642) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate.

Molecular Properties

Compound Name1-(1-methylpiperidin-2-yl)propan-2-yl benzoate
PubChem CID3060642
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(1-methylpiperidin-2-yl)propan-2-yl benzoate
SMILESCC(CC1CCCCN1C)OC(=O)c1ccccc1
InChIInChI=1S/C16H23NO2/c1-13(12-15-10-6-7-11-17(15)2)19-16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3
InChIKeyWSSPDZUUCQASLV-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate?
The IUPAC name of 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate (CID 3060642) is 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate.
What is the SMILES notation for 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate?
The canonical SMILES for 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate is CC(CC1CCCCN1C)OC(=O)c1ccccc1.
What is the InChIKey of 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate?
The InChIKey is WSSPDZUUCQASLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-13(12-15-10-6-7-11-17(15)2)19-16(18)14-8-4-3-5-9-14/h3-5,8-9,13,15H,6-7,10-12H2,1-2H3.
What are the key properties of 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate?
1-(1-methylpiperidin-2-yl)propan-2-yl benzoate has a molecular weight of 261.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-2-yl)propan-2-yl benzoate is sourced from PubChem (CID 3060642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).