(4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

C14H21N3O2 — CID 70937779

IUPAC(4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3c([nH]2)CCCC3O)CC1
InChIInChI=1S/C14H21N3O2/c1-16-5-7-17(8-6-16)14(19)12-9-10-11(15-12)3-2-4-13(10)18/h9,13,15,18H,2-8H2,1H3
InChIKeyLNYYNOLPXCWZGU-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.77
Rot. Bonds1

About (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone

(4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 70937779) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID70937779
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cc3c([nH]2)CCCC3O)CC1
InChIInChI=1S/C14H21N3O2/c1-16-5-7-17(8-6-16)14(19)12-9-10-11(15-12)3-2-4-13(10)18/h9,13,15,18H,2-8H2,1H3
InChIKeyLNYYNOLPXCWZGU-UHFFFAOYSA-N
XLogP0.77
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone (CID 70937779) is (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cc3c([nH]2)CCCC3O)CC1.
What is the InChIKey of (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LNYYNOLPXCWZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-16-5-7-17(8-6-16)14(19)12-9-10-11(15-12)3-2-4-13(10)18/h9,13,15,18H,2-8H2,1H3.
What are the key properties of (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone?
(4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 70937779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).