1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one

C15H21NO2 — CID 10705650

IUPAC1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)O
InChIInChI=1S/C15H21NO2/c1-12(17)15(18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyKIIIUVYEGOOMMP-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.20
Rot. Bonds3

About 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one

1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one (PubChem CID 10705650) has the molecular formula C15H21NO2 and a molecular weight of 247.33 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-1-one.

Molecular Properties

Compound Name1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one
PubChem CID10705650
Molecular FormulaC15H21NO2
Molecular Weight247.33 g/mol
Exact Mass247.16
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-1-one
SMILESCC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)O
InChIInChI=1S/C15H21NO2/c1-12(17)15(18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3
InChIKeyKIIIUVYEGOOMMP-UHFFFAOYSA-N
XLogP2.20
TPSA40.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity266

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one?
The IUPAC name of 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one (CID 10705650) is 1-(4-benzylpiperidin-1-yl)-2-hydroxypropan-1-one.
What is the SMILES notation for 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one?
The canonical SMILES for 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one is CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)O.
What is the InChIKey of 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one?
The InChIKey is KIIIUVYEGOOMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)15(18)16-9-7-14(8-10-16)11-13-5-3-2-4-6-13/h2-6,12,14,17H,7-11H2,1H3.
What are the key properties of 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one?
1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one has a molecular weight of 247.33 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-Benzylpiperidin-1-yl)-2-hydroxypropan-1-one is sourced from PubChem (CID 10705650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).