(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

C14H20N2O2 — CID 61204151

IUPAC(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-15-9-11-4-3-7-16(10-11)14(18)12-5-2-6-13(17)8-12/h2,5-6,8,11,15,17H,3-4,7,9-10H2,1H3
InChIKeyBUVXBVVECMDUNB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.46
Rot. Bonds3

About (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone

(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 61204151) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID61204151
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCN(C(=O)c2cccc(O)c2)C1
InChIInChI=1S/C14H20N2O2/c1-15-9-11-4-3-7-16(10-11)14(18)12-5-2-6-13(17)8-12/h2,5-6,8,11,15,17H,3-4,7,9-10H2,1H3
InChIKeyBUVXBVVECMDUNB-UHFFFAOYSA-N
XLogP1.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119395286
(3,4-dihydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107728705
[3-(methylaminomethyl)piperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 61205641
(3-ethoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119397688
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
[3-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(methylaminomethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119398124
2-(3-hydroxyphenyl)-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone
CID 61399395
(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
[3-(methylaminomethyl)piperidin-1-yl]-(2-methyl-4-pyridinyl)methanone
CID 106753585
N,N-diethyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]benzenesulfonamide;hydrochloride
CID 119396973

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone (CID 61204151) is (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCN(C(=O)c2cccc(O)c2)C1.
What is the InChIKey of (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BUVXBVVECMDUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-9-11-4-3-7-16(10-11)14(18)12-5-2-6-13(17)8-12/h2,5-6,8,11,15,17H,3-4,7,9-10H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone?
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 61204151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).