4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one

C20H32N2O2 — CID 120559552

IUPAC4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
SMILESCCOc1ccc(CCC2CCN(C(=O)CCC(C)N)CC2)cc1
InChIInChI=1S/C20H32N2O2/c1-3-24-19-9-7-17(8-10-19)5-6-18-12-14-22(15-13-18)20(23)11-4-16(2)21/h7-10,16,18H,3-6,11-15,21H2,1-2H3
InChIKeyBGXOJRSVINOSNL-UHFFFAOYSA-N
MW332.49 g/mol
LogP3.38
Rot. Bonds8

About 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one

4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one (PubChem CID 120559552) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
PubChem CID120559552
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one
SMILESCCOc1ccc(CCC2CCN(C(=O)CCC(C)N)CC2)cc1
InChIInChI=1S/C20H32N2O2/c1-3-24-19-9-7-17(8-10-19)5-6-18-12-14-22(15-13-18)20(23)11-4-16(2)21/h7-10,16,18H,3-6,11-15,21H2,1-2H3
InChIKeyBGXOJRSVINOSNL-UHFFFAOYSA-N
XLogP3.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 119275974
1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylethanone
CID 55514283
2-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120785119
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-ethoxyphenyl)propan-1-one;hydrochloride
CID 119594046
2-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 55476136
3-(4-ethoxyphenyl)-1-(4-propanoylpiperidin-1-yl)propan-1-one
CID 112536917
tert-butyl 4-[4-[2-(4-ethoxyphenyl)ethyl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 52544737
4-amino-1-(4-benzylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 120558672
2-chloro-N-[(2S)-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 24575260
2,3-dihydro-1-benzofuran-2-yl-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 55478981
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119520572
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-[(2S,4S)-2-methylpiperidin-4-yl]methanone;hydrochloride
CID 120619337

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one?
The IUPAC name of 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one (CID 120559552) is 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one?
The canonical SMILES for 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one is CCOc1ccc(CCC2CCN(C(=O)CCC(C)N)CC2)cc1.
What is the InChIKey of 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one?
The InChIKey is BGXOJRSVINOSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-24-19-9-7-17(8-10-19)5-6-18-12-14-22(15-13-18)20(23)11-4-16(2)21/h7-10,16,18H,3-6,11-15,21H2,1-2H3.
What are the key properties of 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one?
4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one has a molecular weight of 332.49 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 120559552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).