(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

C14H20N2O2 — CID 63250409

IUPAC(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-15-10-12-6-2-3-8-16(12)14(18)11-5-4-7-13(17)9-11/h4-5,7,9,12,15,17H,2-3,6,8,10H2,1H3
InChIKeyMYTOYVRGSPFLKA-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds3

About (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone

(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 63250409) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID63250409
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCCCN1C(=O)c1cccc(O)c1
InChIInChI=1S/C14H20N2O2/c1-15-10-12-6-2-3-8-16(12)14(18)11-5-4-7-13(17)9-11/h4-5,7,9,12,15,17H,2-3,6,8,10H2,1H3
InChIKeyMYTOYVRGSPFLKA-UHFFFAOYSA-N
XLogP1.61
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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 113285249
(3,5-dihydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 107704932
1-[1-(3-hydroxybenzoyl)azepan-2-yl]propan-2-one
CID 79553762
N-[3-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]cyclohexanecarboxamide;hydrochloride
CID 119651472
[2-(methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 81484757
[2-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 63249644
(3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119651084
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-nitrophenyl)methanone
CID 81484224
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-phenylmethoxyphenyl)methanone
CID 119650920
(4-hydroxy-3-methylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 107672250
(3-chloro-4-iodophenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 103209404
(3-hydroxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204151

Frequently Asked Questions

What is the IUPAC name of (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone (CID 63250409) is (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCCCN1C(=O)c1cccc(O)c1.
What is the InChIKey of (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is MYTOYVRGSPFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-10-12-6-2-3-8-16(12)14(18)11-5-4-7-13(17)9-11/h4-5,7,9,12,15,17H,2-3,6,8,10H2,1H3.
What are the key properties of (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone?
(3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 248.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxyphenyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 63250409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).