(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone

C15H21NO2 — CID 2852240

IUPAC(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C15H21NO2/c1-11-6-4-7-12(2)16(11)15(17)13-8-5-9-14(10-13)18-3/h5,8-12H,4,6-7H2,1-3H3
InChIKeyPYABAWMPQQPHIA-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.10
Rot. Bonds2

About (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone

(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone (PubChem CID 2852240) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
PubChem CID2852240
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C15H21NO2/c1-11-6-4-7-12(2)16(11)15(17)13-8-5-9-14(10-13)18-3/h5,8-12H,4,6-7H2,1-3H3
InChIKeyPYABAWMPQQPHIA-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
(2,6-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63911962
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(3-methylphenyl)methanone
CID 791598
[(2R,6S)-2,6-dimethylpiperidin-1-yl]-(3-iodophenyl)methanone
CID 103715014
[4-[(2S,6R)-2,6-dimethylpiperidine-1-carbonyl]phenyl]-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 129377323
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(4-hydroxy-1-azaspiro[4.4]nonan-1-yl)-(3-methoxyphenyl)methanone
CID 122135977
(3-methoxyphenyl)-(3-methylsulfonyl-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 90590806
(3-hydroxyazetidin-1-yl)-(3-methoxyphenyl)methanone
CID 63107497
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(3,5-dimethylpiperazin-1-yl)-(3-methoxyphenyl)methanone
CID 63874051

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone?
The IUPAC name of (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone (CID 2852240) is (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone?
The InChIKey is PYABAWMPQQPHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-6-4-7-12(2)16(11)15(17)13-8-5-9-14(10-13)18-3/h5,8-12H,4,6-7H2,1-3H3.
What are the key properties of (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone?
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone is sourced from PubChem (CID 2852240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).