1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine

C26H33N3O3 — CID 21481034

IUPAC1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CCCN2CCN(c3ccccc3OC)CC2)c(-n2cccc2)cc1OC
InChIInChI=1S/C26H33N3O3/c1-30-24-11-5-4-10-22(24)29-17-15-27(16-18-29)12-8-9-21-19-25(31-2)26(32-3)20-23(21)28-13-6-7-14-28/h4-7,10-11,13-14,19-20H,8-9,12,15-18H2,1-3H3
InChIKeyDMKRQGRJRLRGSV-UHFFFAOYSA-N
MW435.57 g/mol
LogP4.26
Rot. Bonds9

About 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine

1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 21481034) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
PubChem CID21481034
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC Name1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1cc(CCCN2CCN(c3ccccc3OC)CC2)c(-n2cccc2)cc1OC
InChIInChI=1S/C26H33N3O3/c1-30-24-11-5-4-10-22(24)29-17-15-27(16-18-29)12-8-9-21-19-25(31-2)26(32-3)20-23(21)28-13-6-7-14-28/h4-7,10-11,13-14,19-20H,8-9,12,15-18H2,1-3H3
InChIKeyDMKRQGRJRLRGSV-UHFFFAOYSA-N
XLogP4.26
TPSA39.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 8687109
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-(2-methoxyphenyl)-4-[4-(2-methylimidazol-1-yl)butyl]piperazine
CID 172860872
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2-methoxyphenyl)piperazine
CID 1375666
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
2-[2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]phenyl]acetic acid
CID 174365848
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]indole-6-carbonitrile
CID 21201404

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine (CID 21481034) is 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine is COc1cc(CCCN2CCN(c3ccccc3OC)CC2)c(-n2cccc2)cc1OC.
What is the InChIKey of 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is DMKRQGRJRLRGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-30-24-11-5-4-10-22(24)29-17-15-27(16-18-29)12-8-9-21-19-25(31-2)26(32-3)20-23(21)28-13-6-7-14-28/h4-7,10-11,13-14,19-20H,8-9,12,15-18H2,1-3H3.
What are the key properties of 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine?
1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 435.57 g/mol, XLogP of 4.26, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,5-dimethoxy-2-pyrrol-1-ylphenyl)propyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 21481034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).