2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine

C16H25N3 — CID 10515461

IUPAC2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(C2CCCc3ccccc32)CC1
InChIInChI=1S/C16H25N3/c17-8-9-18-10-12-19(13-11-18)16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,16H,3,5,7-13,17H2
InChIKeyYIUUBOKMMYWIEG-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.64
Rot. Bonds3

About 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine

2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine (PubChem CID 10515461) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
PubChem CID10515461
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(C2CCCc3ccccc32)CC1
InChIInChI=1S/C16H25N3/c17-8-9-18-10-12-19(13-11-18)16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,16H,3,5,7-13,17H2
InChIKeyYIUUBOKMMYWIEG-UHFFFAOYSA-N
XLogP1.64
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrrolidine
CID 122364481
2-[2-[4-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 10548389
1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]piperidine
CID 141000985
4-chloro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10046389
[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]methanol
CID 110899348
4-fluoro-N-[2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CID 10474964
2-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728467
1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316741
[3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methanamine
CID 120772403
3-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 15312826
4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-1-amine
CID 22397692
4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316210

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine (CID 10515461) is 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine is NCCN1CCN(C2CCCc3ccccc32)CC1.
What is the InChIKey of 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine?
The InChIKey is YIUUBOKMMYWIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c17-8-9-18-10-12-19(13-11-18)16-7-3-5-14-4-1-2-6-15(14)16/h1-2,4,6,16H,3,5,7-13,17H2.
What are the key properties of 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine?
2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine has a molecular weight of 259.40 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,4-tetrahydronaphthalen-1-yl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 10515461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).