1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

C26H32ClN3O2 — CID 11525297

IUPAC1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CC1
InChIInChI=1S/C26H32ClN3O2/c1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23/h5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3
InChIKeyGLQBSTDNUVHVER-UHFFFAOYSA-N
MW454.01 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol

1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol (PubChem CID 11525297) has the molecular formula C26H32ClN3O2 and a molecular weight of 454.01 g/mol. Its IUPAC name is 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
PubChem CID11525297
Molecular FormulaC26H32ClN3O2
Molecular Weight454.01 g/mol
Exact Mass453.22
IUPAC Name1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
SMILESCN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CC1
InChIInChI=1S/C26H32ClN3O2/c1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23/h5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3
InChIKeyGLQBSTDNUVHVER-UHFFFAOYSA-N
XLogP4.28
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.01
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol (CID 11525297) is 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol is CN1CCN(CC(O)COc2ccc(C3CCCc4c3[nH]c3ccc(Cl)cc43)cc2)CC1.
What is the InChIKey of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
The InChIKey is GLQBSTDNUVHVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN3O2/c1-29-11-13-30(14-12-29)16-20(31)17-32-21-8-5-18(6-9-21)22-3-2-4-23-24-15-19(27)7-10-25(24)28-26(22)23/h5-10,15,20,22,28,31H,2-4,11-14,16-17H2,1H3.
What are the key properties of 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol?
1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol has a molecular weight of 454.01 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 11525297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).