(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone

C17H25NO3 — CID 116569157

IUPAC(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2ccc(OC)c(OC)c2)CCNCC1
InChIInChI=1S/C17H25NO3/c1-4-7-17(8-10-18-11-9-17)16(19)13-5-6-14(20-2)15(12-13)21-3/h5-6,12,18H,4,7-11H2,1-3H3
InChIKeyYOHYRZJMVWMSNN-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.06
Rot. Bonds6

About (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone

(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone (PubChem CID 116569157) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
PubChem CID116569157
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone
SMILESCCCC1(C(=O)c2ccc(OC)c(OC)c2)CCNCC1
InChIInChI=1S/C17H25NO3/c1-4-7-17(8-10-18-11-9-17)16(19)13-5-6-14(20-2)15(12-13)21-3/h5-6,12,18H,4,7-11H2,1-3H3
InChIKeyYOHYRZJMVWMSNN-UHFFFAOYSA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethoxyphenyl)-(3-ethylpiperidin-3-yl)methanone
CID 116568591
(4-propylphenyl)-(4-propylpiperidin-4-yl)methanone
CID 116569053
(4-chloro-3-methoxyphenyl)-(3-propylpiperidin-3-yl)methanone
CID 59744940
furan-3-yl-(4-propylpiperidin-4-yl)methanone
CID 116569278
(3,4-dimethoxyphenyl)-[1-(methylaminomethyl)cyclobutyl]methanone
CID 116921712
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
(4-phenylpiperidin-4-yl) 3,4-dimethoxybenzoate
CID 167316365
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811
(3-ethoxy-4-methoxyphenyl)-piperazin-1-ylmethanone
CID 39260978

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone (CID 116569157) is (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone is CCCC1(C(=O)c2ccc(OC)c(OC)c2)CCNCC1.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone?
The InChIKey is YOHYRZJMVWMSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-4-7-17(8-10-18-11-9-17)16(19)13-5-6-14(20-2)15(12-13)21-3/h5-6,12,18H,4,7-11H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone?
(3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone has a molecular weight of 291.39 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-propylpiperidin-4-yl)methanone is sourced from PubChem (CID 116569157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).