2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide

C16H24N2O2 — CID 115995958

IUPAC2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
SMILESCCC(O)c1ccccc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-2-15(19)13-5-3-4-6-14(13)18-9-7-12(8-10-18)11-16(17)20/h3-6,12,15,19H,2,7-11H2,1H3,(H2,17,20)
InChIKeyNNBBWKMDPBHLRA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.22
Rot. Bonds5

About 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide

2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 115995958) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
PubChem CID115995958
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide
SMILESCCC(O)c1ccccc1N1CCC(CC(N)=O)CC1
InChIInChI=1S/C16H24N2O2/c1-2-15(19)13-5-3-4-6-14(13)18-9-7-12(8-10-18)11-16(17)20/h3-6,12,15,19H,2,7-11H2,1H3,(H2,17,20)
InChIKeyNNBBWKMDPBHLRA-UHFFFAOYSA-N
XLogP2.22
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide (CID 115995958) is 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide is CCC(O)c1ccccc1N1CCC(CC(N)=O)CC1.
What is the InChIKey of 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is NNBBWKMDPBHLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-15(19)13-5-3-4-6-14(13)18-9-7-12(8-10-18)11-16(17)20/h3-6,12,15,19H,2,7-11H2,1H3,(H2,17,20).
What are the key properties of 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide?
2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1-hydroxypropyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 115995958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).