(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone

C13H17NO2 — CID 43186537

IUPAC(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccccc1O
InChIInChI=1S/C13H17NO2/c1-10-6-4-5-9-14(10)13(16)11-7-2-3-8-12(11)15/h2-3,7-8,10,15H,4-6,9H2,1H3
InChIKeyHQNWERLOTKVHFM-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.41
Rot. Bonds1

About (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone

(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 43186537) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
PubChem CID43186537
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccccc1O
InChIInChI=1S/C13H17NO2/c1-10-6-4-5-9-14(10)13(16)11-7-2-3-8-12(11)15/h2-3,7-8,10,15H,4-6,9H2,1H3
InChIKeyHQNWERLOTKVHFM-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-methylpiperidin-1-yl]-naphthalen-1-ylmethanone
CID 13185578
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497
[2-(furan-2-yl)phenyl]-(2-methylpiperidin-1-yl)methanone
CID 168525088
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
(4-methylphenyl)-[2-(2-methylpiperidine-1-carbonyl)phenyl]methanone
CID 112811380
(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
8-(2-methylpiperidine-1-carbonyl)naphthalene-1-carboxylic acid
CID 16772270
(3-amino-2-methylphenyl)-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40788930
[2-(1-aminoethyl)piperidin-1-yl]-(2-hydroxyphenyl)methanone
CID 63254989
(2R,3R)-1-(2-hydroxybenzoyl)-2-methylpiperidine-3-carboxylic acid
CID 122116461
(5-bromonaphthalen-1-yl)-(2-methylpiperidin-1-yl)methanone
CID 50849833
(2-bromo-3-pyridinyl)-(2-methylazepan-1-yl)methanone
CID 103755413

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone (CID 43186537) is (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is HQNWERLOTKVHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-6-4-5-9-14(10)13(16)11-7-2-3-8-12(11)15/h2-3,7-8,10,15H,4-6,9H2,1H3.
What are the key properties of (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone?
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 219.28 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 43186537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).