3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol

C24H29N3O — CID 90656684

IUPAC3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol
SMILESCN(CCCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(O)c1
InChIInChI=1S/C24H29N3O/c1-25(22-8-4-9-24(28)19-22)12-5-13-26-14-16-27(17-15-26)23-11-10-20-6-2-3-7-21(20)18-23/h2-4,6-11,18-19,28H,5,12-17H2,1H3
InChIKeyUWBWDAJPEWLOCH-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.19
Rot. Bonds6

About 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol

3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol (PubChem CID 90656684) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol.

Molecular Properties

Compound Name3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol
PubChem CID90656684
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol
SMILESCN(CCCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(O)c1
InChIInChI=1S/C24H29N3O/c1-25(22-8-4-9-24(28)19-22)12-5-13-26-14-16-27(17-15-26)23-11-10-20-6-2-3-7-21(20)18-23/h2-4,6-11,18-19,28H,5,12-17H2,1H3
InChIKeyUWBWDAJPEWLOCH-UHFFFAOYSA-N
XLogP4.19
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol?
The IUPAC name of 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol (CID 90656684) is 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol.
What is the SMILES notation for 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol?
The canonical SMILES for 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol is CN(CCCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(O)c1.
What is the InChIKey of 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol?
The InChIKey is UWBWDAJPEWLOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-25(22-8-4-9-24(28)19-22)12-5-13-26-14-16-27(17-15-26)23-11-10-20-6-2-3-7-21(20)18-23/h2-4,6-11,18-19,28H,5,12-17H2,1H3.
What are the key properties of 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol?
3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol has a molecular weight of 375.52 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[3-(4-naphthalen-2-ylpiperazin-1-yl)propyl]amino]phenol is sourced from PubChem (CID 90656684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).