(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

C17H26N2O2 — CID 102957473

IUPAC(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C17H26N2O2/c1-13-9-11-19(12-16(13)21-3)17(20)15-7-5-4-6-14(15)8-10-18-2/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyDTHIKWNPCVGWLK-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.95
Rot. Bonds5

About (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone

(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (PubChem CID 102957473) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.

Molecular Properties

Compound Name(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
PubChem CID102957473
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
SMILESCNCCc1ccccc1C(=O)N1CCC(C)C(OC)C1
InChIInChI=1S/C17H26N2O2/c1-13-9-11-19(12-16(13)21-3)17(20)15-7-5-4-6-14(15)8-10-18-2/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyDTHIKWNPCVGWLK-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxypiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 102957626
(4-cyclopropylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547617
(2-amino-3-methylphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954936
(3-amino-2-bromophenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102955000
(3-amino-2-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102954965
(4-ethylpiperazin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone
CID 104547346
methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
2-[3-[(3S,4R)-3-methoxy-4-methylpiperidine-1-carbonyl]-2-oxo-1-pyridinyl]acetic acid
CID 155957322
[2-[2-(methylamino)ethyl]phenyl]-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 106313894
[2-[2-(methylamino)ethyl]phenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 104547371
(2-fluoro-4-methoxyphenyl)-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102677558
[2-[(3R,4S)-4-methoxy-3-methylpiperidine-1-carbonyl]phenyl]-phenylmethanone
CID 126454708

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The IUPAC name of (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone (CID 102957473) is (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone.
What is the SMILES notation for (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The canonical SMILES for (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is CNCCc1ccccc1C(=O)N1CCC(C)C(OC)C1.
What is the InChIKey of (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
The InChIKey is DTHIKWNPCVGWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-9-11-19(12-16(13)21-3)17(20)15-7-5-4-6-14(15)8-10-18-2/h4-7,13,16,18H,8-12H2,1-3H3.
What are the key properties of (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone?
(3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone has a molecular weight of 290.41 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylpiperidin-1-yl)-[2-[2-(methylamino)ethyl]phenyl]methanone is sourced from PubChem (CID 102957473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).