(4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol

C20H23N3O — CID 137379820

IUPAC(4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol
SMILESCN1CCN(C(O)c2[nH]c3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c1-22-11-13-23(14-12-22)20(24)19-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)21-19/h2-10,20-21,24H,11-14H2,1H3
InChIKeyRSIVPAZNTUUPDF-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.07
Rot. Bonds3

About (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol

(4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol (PubChem CID 137379820) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol
PubChem CID137379820
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol
SMILESCN1CCN(C(O)c2[nH]c3ccccc3c2-c2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c1-22-11-13-23(14-12-22)20(24)19-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)21-19/h2-10,20-21,24H,11-14H2,1H3
InChIKeyRSIVPAZNTUUPDF-UHFFFAOYSA-N
XLogP3.07
TPSA42.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol?
The IUPAC name of (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol (CID 137379820) is (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol?
The canonical SMILES for (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol is CN1CCN(C(O)c2[nH]c3ccccc3c2-c2ccccc2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol?
The InChIKey is RSIVPAZNTUUPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-11-13-23(14-12-22)20(24)19-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)21-19/h2-10,20-21,24H,11-14H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol?
(4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol has a molecular weight of 321.42 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(3-phenyl-1H-indol-2-yl)methanol is sourced from PubChem (CID 137379820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).