1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine

C20H26ClN3O2 — CID 22557933

IUPAC1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccnc(-c3cc(OC)c(Cl)c(OC)c3)c2)CC1
InChIInChI=1S/C20H26ClN3O2/c1-22-16-5-8-24(9-6-16)13-14-4-7-23-17(10-14)15-11-18(25-2)20(21)19(12-15)26-3/h4,7,10-12,16,22H,5-6,8-9,13H2,1-3H3
InChIKeyFKDUWFBCKANWQU-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.60
Rot. Bonds6

About 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine

1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine (PubChem CID 22557933) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
PubChem CID22557933
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccnc(-c3cc(OC)c(Cl)c(OC)c3)c2)CC1
InChIInChI=1S/C20H26ClN3O2/c1-22-16-5-8-24(9-6-16)13-14-4-7-23-17(10-14)15-11-18(25-2)20(21)19(12-15)26-3/h4,7,10-12,16,22H,5-6,8-9,13H2,1-3H3
InChIKeyFKDUWFBCKANWQU-UHFFFAOYSA-N
XLogP3.60
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine with MolForge

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Related Compounds

(3S)-N-methyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine
CID 12043144
4-[(4-methylpiperidin-1-yl)methyl]-2-(3,4,5-trimethoxyphenyl)pyridine
CID 21338831
ethyl N-[1-[[2-(4-chloro-3,5-diethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-yl]carbamate
CID 22557934
2-(3-cyclopropyl-5-methoxy-4-methylphenyl)-4-[(4-methylpiperidin-1-yl)methyl]pyridine
CID 142906227
4-(piperidin-1-ylmethyl)-2-(3,4,5-trimethoxyphenyl)pyridine;tetrahydrochloride
CID 141070239
(3S)-N-methyl-N,1-bis[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]pyrrolidin-3-amine;tetrahydrochloride
CID 68918610
ethane;1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-one
CID 142818332
ethane;3-methoxy-5-[4-[[4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazin-1-yl]methyl]-2-pyridinyl]benzene-1,2-diol
CID 142882142
N-(4-chlorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174152
1-[(5,6,7-trimethoxynaphthalen-2-yl)methyl]-4-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperazine
CID 18546806
N-benzyl-1-[[2-(3,5-dimethoxy-4-methylphenyl)-4-pyridinyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 142906223
1-(pyridin-4-ylmethyl)-4-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperazine
CID 59037195

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine (CID 22557933) is 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine is CNC1CCN(Cc2ccnc(-c3cc(OC)c(Cl)c(OC)c3)c2)CC1.
What is the InChIKey of 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine?
The InChIKey is FKDUWFBCKANWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-22-16-5-8-24(9-6-16)13-14-4-7-23-17(10-14)15-11-18(25-2)20(21)19(12-15)26-3/h4,7,10-12,16,22H,5-6,8-9,13H2,1-3H3.
What are the key properties of 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine?
1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine has a molecular weight of 375.90 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-chloro-3,5-dimethoxyphenyl)-4-pyridinyl]methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 22557933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).