[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone

C16H25N3O — CID 63767839

IUPAC[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCCC(CCN)C2)c1
InChIInChI=1S/C16H25N3O/c1-18(2)15-7-3-6-14(11-15)16(20)19-10-4-5-13(12-19)8-9-17/h3,6-7,11,13H,4-5,8-10,12,17H2,1-2H3
InChIKeyFJDKIDRFGOIUJW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.95
Rot. Bonds4

About [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone

[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone (PubChem CID 63767839) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
PubChem CID63767839
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
SMILESCN(C)c1cccc(C(=O)N2CCCC(CCN)C2)c1
InChIInChI=1S/C16H25N3O/c1-18(2)15-7-3-6-14(11-15)16(20)19-10-4-5-13(12-19)8-9-17/h3,6-7,11,13H,4-5,8-10,12,17H2,1-2H3
InChIKeyFJDKIDRFGOIUJW-UHFFFAOYSA-N
XLogP1.95
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]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-(2-aminoethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 63766901
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-bromopiperidin-1-yl)-[3-(dimethylamino)phenyl]methanone
CID 80660078
[3-(2-aminoethyl)piperidin-1-yl]-(3,4-dimethylphenyl)methanone
CID 63767469
[4-(aminomethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 53489592
[3-(2-aminoethyl)piperidin-1-yl]-(3-nitrophenyl)methanone;hydrochloride
CID 120727457
[3-(dimethylamino)phenyl]-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 94014765
[3-(2-aminoethyl)piperidin-1-yl]-(3-propoxyphenyl)methanone;hydrochloride
CID 120727696
1-[3-(dimethylamino)benzoyl]-N'-hydroxypiperidine-3-carboximidamide
CID 77041690
N-(5-chloro-2-methoxyphenyl)-3-[(3S)-1-[3-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 25274792
azepan-1-yl-[3-(dimethylamino)phenyl]methanone
CID 23857554
[3-(dimethylamino)phenyl]-[(3R)-3-(1,3-dioxolan-2-yl)piperidin-1-yl]methanone
CID 95293500

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The IUPAC name of [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone (CID 63767839) is [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone.
What is the SMILES notation for [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The canonical SMILES for [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone is CN(C)c1cccc(C(=O)N2CCCC(CCN)C2)c1.
What is the InChIKey of [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
The InChIKey is FJDKIDRFGOIUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(2)15-7-3-6-14(11-15)16(20)19-10-4-5-13(12-19)8-9-17/h3,6-7,11,13H,4-5,8-10,12,17H2,1-2H3.
What are the key properties of [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone?
[3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone has a molecular weight of 275.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)piperidin-1-yl]-[3-(dimethylamino)phenyl]methanone is sourced from PubChem (CID 63767839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).