[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

C20H32N2O4 — CID 119435293

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCCCC2C(C)N)cc(OCC)c1OCC
InChIInChI=1S/C20H32N2O4/c1-5-24-17-12-15(13-18(25-6-2)19(17)26-7-3)20(23)22-11-9-8-10-16(22)14(4)21/h12-14,16H,5-11,21H2,1-4H3
InChIKeyBQOMTFJHNQCHQH-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.22
Rot. Bonds8

About [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone

[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone (PubChem CID 119435293) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
PubChem CID119435293
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone
SMILESCCOc1cc(C(=O)N2CCCCC2C(C)N)cc(OCC)c1OCC
InChIInChI=1S/C20H32N2O4/c1-5-24-17-12-15(13-18(25-6-2)19(17)26-7-3)20(23)22-11-9-8-10-16(22)14(4)21/h12-14,16H,5-11,21H2,1-4H3
InChIKeyBQOMTFJHNQCHQH-UHFFFAOYSA-N
XLogP3.22
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 119435295
[(2R)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(3,5-dichloro-4-methoxyphenyl)methanone
CID 124685615
[2-(1-aminoethyl)piperidin-1-yl]-[4-(difluoromethoxy)-3,5-dimethylphenyl]methanone
CID 119437301
[2-(1-aminoethyl)piperidin-1-yl]-(3-methoxy-4-methylphenyl)methanone
CID 63255158
1-[2-(1-aminoethyl)piperidin-1-yl]-4-(2-ethoxyphenoxy)butan-1-one;hydrochloride
CID 119437566
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-N,N-diethylbenzamide;hydrochloride
CID 119436878
[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 124513794
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[2-(1-aminoethyl)piperidin-1-yl]-[3-(difluoromethoxy)-4-methoxyphenyl]methanone;hydrochloride
CID 119435560
[2,5-dimethyl-4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 4079895
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[2-(1-aminoethyl)piperidin-1-yl]-[3-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119437516

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone (CID 119435293) is [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone is CCOc1cc(C(=O)N2CCCCC2C(C)N)cc(OCC)c1OCC.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
The InChIKey is BQOMTFJHNQCHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-5-24-17-12-15(13-18(25-6-2)19(17)26-7-3)20(23)22-11-9-8-10-16(22)14(4)21/h12-14,16H,5-11,21H2,1-4H3.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone?
[2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone has a molecular weight of 364.49 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone is sourced from PubChem (CID 119435293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).