(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

C17H26N2O3 — CID 119647989

IUPAC(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccc(OC)c2OC)CC1
InChIInChI=1S/C17H26N2O3/c1-4-18-12-13-8-10-19(11-9-13)17(20)14-6-5-7-15(21-2)16(14)22-3/h5-7,13,18H,4,8-12H2,1-3H3
InChIKeyBCFIKQLCEXNJFF-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.17
Rot. Bonds6

About (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone

(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119647989) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
PubChem CID119647989
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
SMILESCCNCC1CCN(C(=O)c2cccc(OC)c2OC)CC1
InChIInChI=1S/C17H26N2O3/c1-4-18-12-13-8-10-19(11-9-13)17(20)14-6-5-7-15(21-2)16(14)22-3/h5-7,13,18H,4,8-12H2,1-3H3
InChIKeyBCFIKQLCEXNJFF-UHFFFAOYSA-N
XLogP2.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-naphthalen-1-ylmethanone
CID 119645989
[3-(chloromethyl)pyrrolidin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 63396306
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
[2-(cyclopropylmethoxy)phenyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646664
2-(2,6-dimethoxyphenyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119646882
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(2-methoxyphenyl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63248507
(2-chlorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647973
(4,5-dimethoxy-2-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119647359
(2,3-dimethoxyphenyl)-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]methanone
CID 50957616
(2-chloro-3-fluorophenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119646459
3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 80551458

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone (CID 119647989) is (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is CCNCC1CCN(C(=O)c2cccc(OC)c2OC)CC1.
What is the InChIKey of (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is BCFIKQLCEXNJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-18-12-13-8-10-19(11-9-13)17(20)14-6-5-7-15(21-2)16(14)22-3/h5-7,13,18H,4,8-12H2,1-3H3.
What are the key properties of (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone?
(2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethoxyphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119647989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).