(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone

C18H29N3O2 — CID 22567487

IUPAC(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
SMILESCCN(CC)CCOC1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-20(4-2)13-14-23-17-9-11-21(12-10-17)18(22)15-5-7-16(19)8-6-15/h5-8,17H,3-4,9-14,19H2,1-2H3
InChIKeyALVHANGTLFQPFJ-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.23
Rot. Bonds7

About (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone

(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone (PubChem CID 22567487) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
PubChem CID22567487
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone
SMILESCCN(CC)CCOC1CCN(C(=O)c2ccc(N)cc2)CC1
InChIInChI=1S/C18H29N3O2/c1-3-20(4-2)13-14-23-17-9-11-21(12-10-17)18(22)15-5-7-16(19)8-6-15/h5-8,17H,3-4,9-14,19H2,1-2H3
InChIKeyALVHANGTLFQPFJ-UHFFFAOYSA-N
XLogP2.23
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
[4-(1-aminoethyl)piperidin-1-yl]-[4-[2-(diethylamino)ethoxy]phenyl]methanone
CID 119520334
N-[[1-[4-[2-(diethylamino)ethoxy]benzoyl]piperidin-4-yl]methyl]acetamide
CID 51123387
[4-(2-aminoethoxy)piperidin-1-yl]-(4-hydroxyphenyl)methanone
CID 82700954
1-(4-aminobenzoyl)-N-ethylpiperidine-4-carboxamide
CID 60963126
[4-(2-bromoethoxy)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 82701843
N-[1-(4-aminobenzoyl)piperidin-4-yl]ethanesulfonamide
CID 60962899
[4-[2-(dimethylamino)ethoxy]piperidin-1-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 91836669
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
(3S)-1-[4-[2-(diethylamino)ethoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610415
2-(diethylamino)ethyl 4-aminobenzoate azide
CID 20841990
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272

Frequently Asked Questions

What is the IUPAC name of (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone?
The IUPAC name of (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone (CID 22567487) is (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone.
What is the SMILES notation for (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone?
The canonical SMILES for (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone is CCN(CC)CCOC1CCN(C(=O)c2ccc(N)cc2)CC1.
What is the InChIKey of (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone?
The InChIKey is ALVHANGTLFQPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-3-20(4-2)13-14-23-17-9-11-21(12-10-17)18(22)15-5-7-16(19)8-6-15/h5-8,17H,3-4,9-14,19H2,1-2H3.
What are the key properties of (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone?
(4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone has a molecular weight of 319.45 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminophenyl)-[4-[2-(diethylamino)ethoxy]piperidin-1-yl]methanone is sourced from PubChem (CID 22567487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).