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

C16H24N2O — CID 63157358

IUPAC[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C16H24N2O/c1-3-16(2)7-9-18(10-8-16)15(19)14-6-4-5-13(11-14)12-17/h4-6,11H,3,7-10,12,17H2,1-2H3
InChIKeyLZYPXMUFHCOOIU-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.80
Rot. Bonds3

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

[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (PubChem CID 63157358) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
PubChem CID63157358
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
SMILESCCC1(C)CCN(C(=O)c2cccc(CN)c2)CC1
InChIInChI=1S/C16H24N2O/c1-3-16(2)7-9-18(10-8-16)15(19)14-6-4-5-13(11-14)12-17/h4-6,11H,3,7-10,12,17H2,1-2H3
InChIKeyLZYPXMUFHCOOIU-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(aminomethyl)phenyl]-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62936686
[3-(aminomethyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 43584943
[3-(aminomethyl)phenyl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 102978293
[3-(aminomethyl)phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 28744968
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 120809683
[3-(aminomethyl)phenyl]-(4-cyclopropylpiperazin-1-yl)methanone
CID 61439888
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
[3-(aminomethyl)phenyl]-(4-methylazepan-1-yl)methanone
CID 63622383
[4-(bromomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 102851649
N-[4-(aminomethyl)phenyl]-4-ethyl-4-methylpiperidine-1-carboxamide
CID 63161794
[4-(aminomethyl)-4-methylpiperidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 107160125
(4-ethyl-4-methylpiperidin-1-yl)-(4-iodophenyl)methanone
CID 55137830

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone (CID 63157358) is [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is CCC1(C)CCN(C(=O)c2cccc(CN)c2)CC1.
What is the InChIKey of [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
The InChIKey is LZYPXMUFHCOOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-16(2)7-9-18(10-8-16)15(19)14-6-4-5-13(11-14)12-17/h4-6,11H,3,7-10,12,17H2,1-2H3.
What are the key properties of [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone?
[3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone has a molecular weight of 260.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)phenyl]-(4-ethyl-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 63157358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).