1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine

C22H34N2O — CID 11439301

IUPAC1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine
SMILESCOc1cccc2c1CCCC2CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
InChIKeyYHVGSPGZCCLSHP-UHFFFAOYSA-N
MW342.53 g/mol
LogP4.07
Rot. Bonds4

About 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine

1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine (PubChem CID 11439301) has the molecular formula C22H34N2O and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine
PubChem CID11439301
Molecular FormulaC22H34N2O
Molecular Weight342.53 g/mol
Exact Mass342.27
IUPAC Name1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine
SMILESCOc1cccc2c1CCCC2CN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3
InChIKeyYHVGSPGZCCLSHP-UHFFFAOYSA-N
XLogP4.07
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine (CID 11439301) is 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine is COc1cccc2c1CCCC2CN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine?
The InChIKey is YHVGSPGZCCLSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O/c1-25-22-12-6-10-20-18(7-5-11-21(20)22)17-23-13-15-24(16-14-23)19-8-3-2-4-9-19/h6,10,12,18-19H,2-5,7-9,11,13-17H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine?
1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine has a molecular weight of 342.53 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]piperazine is sourced from PubChem (CID 11439301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).