[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

C17H26N2O2 — CID 80550753

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCCNCC1CCN(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-18-12-14-7-9-19(10-8-14)17(20)15-6-5-13(2)16(11-15)21-3/h5-6,11,14,18H,4,7-10,12H2,1-3H3
InChIKeyVRSQACRTXIQXLU-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.47
Rot. Bonds5

About [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone

[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (PubChem CID 80550753) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
PubChem CID80550753
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
SMILESCCNCC1CCN(C(=O)c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C17H26N2O2/c1-4-18-12-14-7-9-19(10-8-14)17(20)15-6-5-13(2)16(11-15)21-3/h5-6,11,14,18H,4,7-10,12H2,1-3H3
InChIKeyVRSQACRTXIQXLU-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone with MolForge

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Related Compounds

(3,4-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646390
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
(3,4-diethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119644683
2-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-2-methoxyphenoxy]acetamide;hydrochloride
CID 119644854
(4-chloropiperidin-1-yl)-(3-methoxy-4-methylphenyl)methanone
CID 55183162
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
[4-(diethylamino)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 142332387
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 115746621
[4-(ethylaminomethyl)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone;hydrochloride
CID 119646891
[3-(2-aminoethyl)pyrrolidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 114802000
(3-bromo-4-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647709
(4-bromophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80551597

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone (CID 80550753) is [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is CCNCC1CCN(C(=O)c2ccc(C)c(OC)c2)CC1.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
The InChIKey is VRSQACRTXIQXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-18-12-14-7-9-19(10-8-14)17(20)15-6-5-13(2)16(11-15)21-3/h5-6,11,14,18H,4,7-10,12H2,1-3H3.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone?
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone is sourced from PubChem (CID 80550753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).