1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine

C20H27N3O2 — CID 91828450

IUPAC1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine
SMILESCOc1cccc(N2CCN(Cc3cc(OC)ccn3)CC2(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-20(2)15-22(14-16-12-19(25-4)8-9-21-16)10-11-23(20)17-6-5-7-18(13-17)24-3/h5-9,12-13H,10-11,14-15H2,1-4H3
InChIKeyMJCUYPSXZWEDIW-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.20
Rot. Bonds5

About 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine

1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine (PubChem CID 91828450) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine
PubChem CID91828450
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine
SMILESCOc1cccc(N2CCN(Cc3cc(OC)ccn3)CC2(C)C)c1
InChIInChI=1S/C20H27N3O2/c1-20(2)15-22(14-16-12-19(25-4)8-9-21-16)10-11-23(20)17-6-5-7-18(13-17)24-3/h5-9,12-13H,10-11,14-15H2,1-4H3
InChIKeyMJCUYPSXZWEDIW-UHFFFAOYSA-N
XLogP3.20
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methoxy-2-pyridinyl)methyl]-1,4-thiazepane
CID 75503314
1-(3-methoxyphenyl)-2,2-dimethylpiperidin-4-amine
CID 117020135
8-[(3-methoxyphenyl)methyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 97449576
(3R)-3-(2-methoxyethyl)-1-[(4-methoxy-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 97146296
3-[6-[4-(3-methoxyphenyl)-3,3-dimethylpiperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine;dihydrochloride
CID 154902353
3-(3-methoxyphenyl)-5-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 34728562
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
1-[(4-methoxy-2-pyridinyl)methyl]piperazine;2,2,2-trifluoroacetic acid
CID 167924639
(5R)-2-[(3-methoxyphenyl)methyl]-7-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451667
4-[(4-methoxy-2-pyridinyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-6-carboxylic acid
CID 167923945
N-[(3-methoxyphenyl)methyl]-2-(morpholin-4-ylmethyl)-N-[(3-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 167465553
2-[[3-(4-chlorophenyl)piperidin-1-yl]methyl]-4-methoxypyridine
CID 135105893

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine?
The IUPAC name of 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine (CID 91828450) is 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine.
What is the SMILES notation for 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine?
The canonical SMILES for 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine is COc1cccc(N2CCN(Cc3cc(OC)ccn3)CC2(C)C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine?
The InChIKey is MJCUYPSXZWEDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-20(2)15-22(14-16-12-19(25-4)8-9-21-16)10-11-23(20)17-6-5-7-18(13-17)24-3/h5-9,12-13H,10-11,14-15H2,1-4H3.
What are the key properties of 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine?
1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine has a molecular weight of 341.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-4-[(4-methoxy-2-pyridinyl)methyl]-2,2-dimethylpiperazine is sourced from PubChem (CID 91828450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).