[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone

C19H30N2O2 — CID 51082943

IUPAC[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cccc(COC)c2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-20(5-2)14-16-9-11-21(12-10-16)19(22)18-8-6-7-17(13-18)15-23-3/h6-8,13,16H,4-5,9-12,14-15H2,1-3H3
InChIKeyFEGDOQAEZSYKLH-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.03
Rot. Bonds7

About [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone

[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone (PubChem CID 51082943) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
PubChem CID51082943
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cccc(COC)c2)CC1
InChIInChI=1S/C19H30N2O2/c1-4-20(5-2)14-16-9-11-21(12-10-16)19(22)18-8-6-7-17(13-18)15-23-3/h6-8,13,16H,4-5,9-12,14-15H2,1-3H3
InChIKeyFEGDOQAEZSYKLH-UHFFFAOYSA-N
XLogP3.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119413252
azepan-1-yl-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]methanone
CID 134029936
[4-[(dimethylamino)methyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 54986051
2-[acetyl-[(4R)-1-[3-(methoxymethyl)benzoyl]azepan-4-yl]amino]acetic acid
CID 129342522
3,9-diazabicyclo[4.2.1]nonan-3-yl-[3-(methoxymethyl)phenyl]methanone
CID 119639155
N-cyclopropyl-2-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 35373224
(3-chlorophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 110869857
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-[3-(methoxymethyl)benzoyl]piperidin-4-yl]acetamide
CID 146379830
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 78850073
4-[4-(diethylaminomethyl)piperidine-1-carbonyl]benzonitrile
CID 51082940

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The IUPAC name of [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone (CID 51082943) is [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone is CCN(CC)CC1CCN(C(=O)c2cccc(COC)c2)CC1.
What is the InChIKey of [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The InChIKey is FEGDOQAEZSYKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-20(5-2)14-16-9-11-21(12-10-16)19(22)18-8-6-7-17(13-18)15-23-3/h6-8,13,16H,4-5,9-12,14-15H2,1-3H3.
What are the key properties of [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
[4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone has a molecular weight of 318.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 51082943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).