5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine

C19H30N2 — CID 64931595

IUPAC5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1c1cccc2c1CCCC2
InChIInChI=1S/C19H30N2/c1-14-12-20-18(19(2,3)4)13-21(14)17-11-7-9-15-8-5-6-10-16(15)17/h7,9,11,14,18,20H,5-6,8,10,12-13H2,1-4H3
InChIKeyPHFNDEXRAFFMSB-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.78
Rot. Bonds1

About 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine

5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine (PubChem CID 64931595) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine.

Molecular Properties

Compound Name5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
PubChem CID64931595
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
SMILESCC1CNC(C(C)(C)C)CN1c1cccc2c1CCCC2
InChIInChI=1S/C19H30N2/c1-14-12-20-18(19(2,3)4)13-21(14)17-11-7-9-15-8-5-6-10-16(15)17/h7,9,11,14,18,20H,5-6,8,10,12-13H2,1-4H3
InChIKeyPHFNDEXRAFFMSB-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-tert-butyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64947289
5,5-diethyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931196
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79923603
1-(2-bromo-4-fluorophenyl)-5-tert-butyl-2-methylpiperazine
CID 64934142
1-(3-bromo-4-methylphenyl)-5-tert-butyl-2-methylpiperazine
CID 64940047
2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidin-4-amine
CID 54975723
2-methyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512720
2,5-dimethyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrole
CID 43510641
1-(2,3-dihydro-1H-inden-4-yl)-4-methylpiperazine
CID 59726261
5-tert-butyl-2-ethyl-1-(2-propan-2-ylphenyl)piperazine
CID 64931164
5-tert-butyl-2-methyl-1-propan-2-ylpiperazine
CID 64841228
3-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1,4-diazepane-2,5-dione
CID 64957081

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
The IUPAC name of 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine (CID 64931595) is 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine.
What is the SMILES notation for 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
The canonical SMILES for 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine is CC1CNC(C(C)(C)C)CN1c1cccc2c1CCCC2.
What is the InChIKey of 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
The InChIKey is PHFNDEXRAFFMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-12-20-18(19(2,3)4)13-21(14)17-11-7-9-15-8-5-6-10-16(15)17/h7,9,11,14,18,20H,5-6,8,10,12-13H2,1-4H3.
What are the key properties of 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine?
5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine is sourced from PubChem (CID 64931595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).