2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone

C15H23N3O — CID 43458262

IUPAC2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O/c1-17(11-13-5-7-14(16)8-6-13)12-15(19)18-9-3-2-4-10-18/h5-8H,2-4,9-12,16H2,1H3
InChIKeySSYRNRVFAQQATI-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.71
Rot. Bonds4

About 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone

2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone (PubChem CID 43458262) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
PubChem CID43458262
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)Cc1ccc(N)cc1
InChIInChI=1S/C15H23N3O/c1-17(11-13-5-7-14(16)8-6-13)12-15(19)18-9-3-2-4-10-18/h5-8H,2-4,9-12,16H2,1H3
InChIKeySSYRNRVFAQQATI-UHFFFAOYSA-N
XLogP1.71
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(aminomethyl)phenyl]methyl-methylamino]-1-(azepan-1-yl)ethanone
CID 60922094
4-[[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzoic acid
CID 60977939
1-(azepan-1-yl)-2-[(4-bromophenyl)methyl-methylamino]ethanone
CID 78791393
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
4-[[[2-(azetidin-1-yl)-2-oxoethyl]-methylamino]methyl]benzoic acid
CID 54886018
2-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 60963104
2-[(2-amino-4-pyridinyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 62470329
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
2-[(3-hydroxyphenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 79670313
2-[4-(aminomethyl)-N-methylanilino]-1-(azepan-1-yl)ethanone
CID 43275613
(E)-3-(4-aminophenyl)-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)prop-2-enamide
CID 115343343
2-[(4-hydroxyphenyl)methyl-methylamino]-1-piperazin-1-ylethanone
CID 54904212

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone (CID 43458262) is 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone is CN(CC(=O)N1CCCCC1)Cc1ccc(N)cc1.
What is the InChIKey of 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone?
The InChIKey is SSYRNRVFAQQATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17(11-13-5-7-14(16)8-6-13)12-15(19)18-9-3-2-4-10-18/h5-8H,2-4,9-12,16H2,1H3.
What are the key properties of 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone?
2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone has a molecular weight of 261.37 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminophenyl)methyl-methylamino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 43458262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).