(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

C17H27ClN2O3 — CID 119488249

IUPAC(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1OCC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-4-21-15-9-8-13(11-16(15)22-5-2)17(20)19-10-6-7-14(12-19)18-3;/h8-9,11,14,18H,4-7,10,12H2,1-3H3;1H
InChIKeyWNHCWRJLQFSRFL-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.73
Rot. Bonds6

About (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride

(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (PubChem CID 119488249) has the molecular formula C17H27ClN2O3 and a molecular weight of 342.87 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
PubChem CID119488249
Molecular FormulaC17H27ClN2O3
Molecular Weight342.87 g/mol
Exact Mass342.17
IUPAC Name(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCCC(NC)C2)cc1OCC.Cl
InChIInChI=1S/C17H26N2O3.ClH/c1-4-21-15-9-8-13(11-16(15)22-5-2)17(20)19-10-6-7-14(12-19)18-3;/h8-9,11,14,18H,4-7,10,12H2,1-3H3;1H
InChIKeyWNHCWRJLQFSRFL-UHFFFAOYSA-N
XLogP2.73
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-4-propoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119491736
(3,4-diethoxyphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560243
[3-(aminomethyl)piperidin-1-yl]-(3,4-diethoxyphenyl)methanone;hydrochloride
CID 119464837
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
(3-aminopiperidin-1-yl)-(4-ethoxy-3-methoxyphenyl)methanone;hydrochloride
CID 119378962
[3-(1-aminoethyl)piperidin-1-yl]-(4-butoxy-3-ethoxyphenyl)methanone;hydrochloride
CID 119594830
(3S)-1-(3-ethoxy-4-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119113504
[4-(difluoromethoxy)-3-methoxyphenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493318
2-[2-methoxy-4-[3-(methylamino)piperidine-1-carbonyl]phenoxy]-N-propan-2-ylacetamide
CID 119492705
1-(3-ethoxy-4-methoxybenzoyl)piperidine-3-carboxylic acid
CID 45429428
(3,4-diethoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119543155

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride (CID 119488249) is (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is CCOc1ccc(C(=O)N2CCCC(NC)C2)cc1OCC.Cl.
What is the InChIKey of (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
The InChIKey is WNHCWRJLQFSRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3.ClH/c1-4-21-15-9-8-13(11-16(15)22-5-2)17(20)19-10-6-7-14(12-19)18-3;/h8-9,11,14,18H,4-7,10,12H2,1-3H3;1H.
What are the key properties of (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride?
(3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride has a molecular weight of 342.87 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119488249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).