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

C24H29N3O — CID 90656683

IUPAC3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol
SMILESCN(CCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1
InChIInChI=1S/C24H29N3O/c1-25(21-9-5-10-22(28)19-21)13-6-14-26-15-17-27(18-16-26)24-12-4-8-20-7-2-3-11-23(20)24/h2-5,7-12,19,28H,6,13-18H2,1H3
InChIKeyFCYNDYFSJFFFHC-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.19
Rot. Bonds6

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

3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol (PubChem CID 90656683) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol.

Molecular Properties

Compound Name3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol
PubChem CID90656683
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol
SMILESCN(CCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1
InChIInChI=1S/C24H29N3O/c1-25(21-9-5-10-22(28)19-21)13-6-14-26-15-17-27(18-16-26)24-12-4-8-20-7-2-3-11-23(20)24/h2-5,7-12,19,28H,6,13-18H2,1H3
InChIKeyFCYNDYFSJFFFHC-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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Related Compounds

3-(4-Benzyl-piperazin-1-yl)-phenol
CID 10015867
(R)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754478
(R)-7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 44588498
7-((2-(4-Phenyl-piperazin-1-yl)-ethyl)-propyl-amino)-5,6,7,8-tetrahydro-naphthalen-2-ol
CID 10178704
(+)-7-[(4-(4-Phenylpiperazin-1-yl)butyl)(propyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 22261332
(S)-6-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24754542
3-[(2S)-2-methyl-4-(3-phenylpropyl)piperazin-1-yl]phenol
CID 49850462
5-(diethylamino)-2-(2,3-dihydro-1H-perimidin-2-yl)phenol
CID 660794
6-((2-(4-Phenylpiperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 24742011
7-((2-(4-(Naphthalen-2-yl)piperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 45486329
7-((2-(4-(Naphthalen-1-yl)-piperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 45486363
(-)-6-((2-(4-(Biphenyl-4-yl)piperazin-1-yl)ethyl)(propyl)amino)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 52941006

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol?
The IUPAC name of 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol (CID 90656683) is 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol.
What is the SMILES notation for 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol?
The canonical SMILES for 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol is CN(CCCN1CCN(c2cccc3ccccc23)CC1)c1cccc(O)c1.
What is the InChIKey of 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol?
The InChIKey is FCYNDYFSJFFFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-25(21-9-5-10-22(28)19-21)13-6-14-26-15-17-27(18-16-26)24-12-4-8-20-7-2-3-11-23(20)24/h2-5,7-12,19,28H,6,13-18H2,1H3.
What are the key properties of 3-[methyl-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]amino]phenol?
3-[methyl-[3-(4-naphthalen-1-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-1-ylpiperazin-1-yl)propyl]amino]phenol is sourced from PubChem (CID 90656683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).