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

C18H27NO2 — CID 3060650

IUPAC1-(1-propylpiperidin-2-yl)propan-2-yl benzoate
SMILESCCCN1CCCCC1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-12-19-13-8-7-11-17(19)14-15(2)21-18(20)16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3
InChIKeyDNUAARDGDRSHGP-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.89
Rot. Bonds6

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

1-(1-propylpiperidin-2-yl)propan-2-yl benzoate (PubChem CID 3060650) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate.

Molecular Properties

Compound Name1-(1-propylpiperidin-2-yl)propan-2-yl benzoate
PubChem CID3060650
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name1-(1-propylpiperidin-2-yl)propan-2-yl benzoate
SMILESCCCN1CCCCC1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C18H27NO2/c1-3-12-19-13-8-7-11-17(19)14-15(2)21-18(20)16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3
InChIKeyDNUAARDGDRSHGP-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate?
The IUPAC name of 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate (CID 3060650) is 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate.
What is the SMILES notation for 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate?
The canonical SMILES for 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate is CCCN1CCCCC1CC(C)OC(=O)c1ccccc1.
What is the InChIKey of 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate?
The InChIKey is DNUAARDGDRSHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-12-19-13-8-7-11-17(19)14-15(2)21-18(20)16-9-5-4-6-10-16/h4-6,9-10,15,17H,3,7-8,11-14H2,1-2H3.
What are the key properties of 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate?
1-(1-propylpiperidin-2-yl)propan-2-yl benzoate has a molecular weight of 289.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpiperidin-2-yl)propan-2-yl benzoate is sourced from PubChem (CID 3060650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).