3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

C15H23N3 — CID 23009488

IUPAC3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CCN(C2Cc3ccccc3C(N)C2)CC1
InChIInChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)13-10-12-4-2-3-5-14(12)15(16)11-13/h2-5,13,15H,6-11,16H2,1H3
InChIKeyYBKOIUIPDFXDFE-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.25
Rot. Bonds1

About 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine

3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 23009488) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID23009488
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN1CCN(C2Cc3ccccc3C(N)C2)CC1
InChIInChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)13-10-12-4-2-3-5-14(12)15(16)11-13/h2-5,13,15H,6-11,16H2,1H3
InChIKeyYBKOIUIPDFXDFE-UHFFFAOYSA-N
XLogP1.25
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyrrolidin-1-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 23009493
N-ethyl-3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 23009485
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
CID 2753029
2-methyl-7-phenyl-3,4,6,7,12,12a-hexahydro-1H-pyrazino[2,1-b][3]benzazepine
CID 15175841
(5S)-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-5-amine
CID 141299186
1-(3,4-dihydro-2H-chromen-3-yl)-4-methylpiperazine
CID 68706500
6-(4-methylpiperazin-1-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16783923
1-[(2S,4R)-4-phenyl-1,2,3,4-tetrahydronaphthalen-2-yl]piperidine
CID 67978423
(3R,5S)-1-(2,3-dihydro-1H-inden-2-yl)piperidine-3,5-diamine
CID 118550578
3-methyl-7-phenyl-2,4,5,7,12,12a-hexahydro-1H-[1,4]diazepino[1,7-b]isoquinoline
CID 70625700
1-(9H-fluoren-9-yl)-4-methylpiperazine;dihydrochloride
CID 24842181
2-(2,4-dimethylpiperazin-1-yl)-2,3-dihydro-1H-inden-1-amine
CID 114086669

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine (CID 23009488) is 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is CN1CCN(C2Cc3ccccc3C(N)C2)CC1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is YBKOIUIPDFXDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-17-6-8-18(9-7-17)13-10-12-4-2-3-5-14(12)15(16)11-13/h2-5,13,15H,6-11,16H2,1H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine?
3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 245.37 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 23009488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).