(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C18H29ClN2O3 — CID 119491736

IUPAC(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1OCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-11-23-16-9-8-14(12-17(16)22-5-2)18(21)20-10-6-7-15(13-20)19-3;/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3;1H
InChIKeySOHGVKNJRAHIES-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.12
Rot. Bonds7

About (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119491736) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119491736
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1OCC.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-4-11-23-16-9-8-14(12-17(16)22-5-2)18(21)20-10-6-7-15(13-20)19-3;/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3;1H
InChIKeySOHGVKNJRAHIES-UHFFFAOYSA-N
XLogP3.12
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119488249
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
N-(2-aminoethyl)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119481384
[(3R)-3-aminopyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone
CID 119412089
(3-ethoxy-4-propoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650979
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119594830
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
[2-(aminomethyl)pyrrolidin-1-yl]-(3-ethoxy-4-propoxyphenyl)methanone;hydrochloride
CID 119633406
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-methylacetamide
CID 119488714
(3-methoxy-4-prop-2-enoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119492614
(4-butoxy-3-ethoxyphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119650399

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119491736) is (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1OCC.Cl.
What is the InChIKey of (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is SOHGVKNJRAHIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-4-11-23-16-9-8-14(12-17(16)22-5-2)18(21)20-10-6-7-15(13-20)19-3;/h8-9,12,15,19H,4-7,10-11,13H2,1-3H3;1H.
What are the key properties of (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119491736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).