1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine

C23H27N3O — CID 174805720

IUPAC1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine
SMILESCOc1cccc(-c2cccn2-c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C23H27N3O/c1-24-13-15-25(16-14-24)18-19-8-10-21(11-9-19)26-12-4-7-23(26)20-5-3-6-22(17-20)27-2/h3-12,17H,13-16,18H2,1-2H3
InChIKeyWTDLFLBEFTWUKG-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.90
Rot. Bonds5

About 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine

1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine (PubChem CID 174805720) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine
PubChem CID174805720
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine
SMILESCOc1cccc(-c2cccn2-c2ccc(CN3CCN(C)CC3)cc2)c1
InChIInChI=1S/C23H27N3O/c1-24-13-15-25(16-14-24)18-19-8-10-21(11-9-19)26-12-4-7-23(26)20-5-3-6-22(17-20)27-2/h3-12,17H,13-16,18H2,1-2H3
InChIKeyWTDLFLBEFTWUKG-UHFFFAOYSA-N
XLogP3.90
TPSA20.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-methoxyphenyl)-1-[4-(pyrrolidin-1-ylmethyl)phenyl]pyrazole
CID 70981613
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
1-methyl-4-[[4-(3-methylphenyl)phenyl]methyl]piperazine
CID 70325548
1-(2-chloroethyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 23363898
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
N-[(3-methoxyphenyl)methyl]-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(morpholin-4-ylmethyl)aniline
CID 167465477
1-[(4-ethoxyphenyl)methyl]-4-[(3-methoxyphenyl)methyl]piperazine
CID 2168286
1-[(3-methoxyphenyl)methyl]-4-[(4-nitrophenyl)methyl]piperazine
CID 737879
1-[[4-[2-(3-methoxyphenoxy)ethyl]phenyl]methyl]piperazine
CID 67327483
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine (CID 174805720) is 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine is COc1cccc(-c2cccn2-c2ccc(CN3CCN(C)CC3)cc2)c1.
What is the InChIKey of 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine?
The InChIKey is WTDLFLBEFTWUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-24-13-15-25(16-14-24)18-19-8-10-21(11-9-19)26-12-4-7-23(26)20-5-3-6-22(17-20)27-2/h3-12,17H,13-16,18H2,1-2H3.
What are the key properties of 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine?
1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine has a molecular weight of 361.49 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[2-(3-methoxyphenyl)pyrrol-1-yl]phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 174805720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).