[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone

C16H24N2O2 — CID 114960591

IUPAC[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(C)C(CN)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-6-4-13(5-7-15)16(19)18-9-8-12(2)14(10-17)11-18/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyHZLOQLNJLFNFJQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds4

About [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 114960591) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID114960591
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(C)C(CN)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-3-20-15-6-4-13(5-7-15)16(19)18-9-8-12(2)14(10-17)11-18/h4-7,12,14H,3,8-11,17H2,1-2H3
InChIKeyHZLOQLNJLFNFJQ-UHFFFAOYSA-N
XLogP2.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-tert-butylphenyl)methanone
CID 114960375
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705273
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
[3-(aminomethyl)pyrrolidin-1-yl]-(4-pentoxyphenyl)methanone
CID 119486348
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(3,5-difluorophenyl)methanone
CID 114960673
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(5-ethylthiophen-2-yl)methanone
CID 114960404
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 121178518
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,4-dimethoxyphenyl)methanone
CID 114960668

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone (CID 114960591) is [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC(C)C(CN)C2)cc1.
What is the InChIKey of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is HZLOQLNJLFNFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-20-15-6-4-13(5-7-15)16(19)18-9-8-12(2)14(10-17)11-18/h4-7,12,14H,3,8-11,17H2,1-2H3.
What are the key properties of [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone?
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 276.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 114960591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).