1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine

C18H28N2 — CID 20795261

IUPAC1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
SMILESCCCCN1CCN(c2cccc3c2CCCC3)CC1
InChIInChI=1S/C18H28N2/c1-2-3-11-19-12-14-20(15-13-19)18-10-6-8-16-7-4-5-9-17(16)18/h6,8,10H,2-5,7,9,11-15H2,1H3
InChIKeyPOXVBHBUUUXBTM-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.49
Rot. Bonds4

About 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine

1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine (PubChem CID 20795261) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine.

Molecular Properties

Compound Name1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
PubChem CID20795261
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
SMILESCCCCN1CCN(c2cccc3c2CCCC3)CC1
InChIInChI=1S/C18H28N2/c1-2-3-11-19-12-14-20(15-13-19)18-10-6-8-16-7-4-5-9-17(16)18/h6,8,10H,2-5,7,9,11-15H2,1H3
InChIKeyPOXVBHBUUUXBTM-UHFFFAOYSA-N
XLogP3.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-isoindol-2-yl-6-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]hexan-1-one
CID 11704656
4-butyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine-1-carboxamide
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8-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline
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4-[(4-chlorobenzoyl)amino]-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazin-1-yl]butyl]benzamide
CID 44532569
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
1-[4-[2-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]ethyl]piperidin-1-yl]propane-1,2-dione;hydrochloride
CID 158819563
6-[3-[4-(2,3-dihydro-1H-inden-4-yl)piperazin-1-yl]propoxy]-2,3-dihydroisoindol-1-one
CID 25068964
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
The IUPAC name of 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine (CID 20795261) is 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine.
What is the SMILES notation for 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
The canonical SMILES for 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine is CCCCN1CCN(c2cccc3c2CCCC3)CC1.
What is the InChIKey of 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
The InChIKey is POXVBHBUUUXBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-3-11-19-12-14-20(15-13-19)18-10-6-8-16-7-4-5-9-17(16)18/h6,8,10H,2-5,7,9,11-15H2,1H3.
What are the key properties of 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine has a molecular weight of 272.44 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine is sourced from PubChem (CID 20795261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).