(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone

C14H19NO2 — CID 82389965

IUPAC(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(C)C2)c1
InChIInChI=1S/C14H19NO2/c1-15-8-4-6-12(10-15)14(16)11-5-3-7-13(9-11)17-2/h3,5,7,9,12H,4,6,8,10H2,1-2H3
InChIKeyAPBTWTLUDVKHBE-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.22
Rot. Bonds3

About (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone

(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone (PubChem CID 82389965) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
PubChem CID82389965
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone
SMILESCOc1cccc(C(=O)C2CCCN(C)C2)c1
InChIInChI=1S/C14H19NO2/c1-15-8-4-6-12(10-15)14(16)11-5-3-7-13(9-11)17-2/h3,5,7,9,12H,4,6,8,10H2,1-2H3
InChIKeyAPBTWTLUDVKHBE-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methylpiperidin-3-yl)-(3-propan-2-yloxyphenyl)methanone
CID 45245966
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
(3-methoxyphenyl)-[(3S)-1-(1-oxidopyridin-1-ium-4-carbonyl)piperidin-3-yl]methanone
CID 42151891
(3-methoxyphenyl)-[1-(pyridin-4-ylmethyl)piperidin-3-yl]methanone
CID 45218080
[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 23723344
methyl 4-[[3-(3-methoxybenzoyl)piperidin-1-yl]methyl]benzoate
CID 45242351
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(3-methoxyphenyl)-[(3R)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 26393620
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone (CID 82389965) is (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone is COc1cccc(C(=O)C2CCCN(C)C2)c1.
What is the InChIKey of (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone?
The InChIKey is APBTWTLUDVKHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-15-8-4-6-12(10-15)14(16)11-5-3-7-13(9-11)17-2/h3,5,7,9,12H,4,6,8,10H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone?
(3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(1-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 82389965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).