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

C19H29NO2 — CID 3060641

IUPAC1-(1-butylpiperidin-2-yl)propan-2-yl benzoate
SMILESCCCCN1CCCCC1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-4-13-20-14-9-8-12-18(20)15-16(2)22-19(21)17-10-6-5-7-11-17/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3
InChIKeyOBPLKHPCORCYBZ-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.28
Rot. Bonds7

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

1-(1-butylpiperidin-2-yl)propan-2-yl benzoate (PubChem CID 3060641) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate.

Molecular Properties

Compound Name1-(1-butylpiperidin-2-yl)propan-2-yl benzoate
PubChem CID3060641
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name1-(1-butylpiperidin-2-yl)propan-2-yl benzoate
SMILESCCCCN1CCCCC1CC(C)OC(=O)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-3-4-13-20-14-9-8-12-18(20)15-16(2)22-19(21)17-10-6-5-7-11-17/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3
InChIKeyOBPLKHPCORCYBZ-UHFFFAOYSA-N
XLogP4.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate?
The IUPAC name of 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate (CID 3060641) is 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate.
What is the SMILES notation for 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate?
The canonical SMILES for 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate is CCCCN1CCCCC1CC(C)OC(=O)c1ccccc1.
What is the InChIKey of 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate?
The InChIKey is OBPLKHPCORCYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-4-13-20-14-9-8-12-18(20)15-16(2)22-19(21)17-10-6-5-7-11-17/h5-7,10-11,16,18H,3-4,8-9,12-15H2,1-2H3.
What are the key properties of 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate?
1-(1-butylpiperidin-2-yl)propan-2-yl benzoate has a molecular weight of 303.45 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-butylpiperidin-2-yl)propan-2-yl benzoate is sourced from PubChem (CID 3060641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).