1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

C23H36N2 — CID 11233111

IUPAC1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESc1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H36N2/c1-2-12-22(13-3-1)25-18-16-24(17-19-25)15-7-11-21-10-6-9-20-8-4-5-14-23(20)21/h4-5,8,14,21-22H,1-3,6-7,9-13,15-19H2
InChIKeyYKRPIOCDRMZEBF-UHFFFAOYSA-N
MW340.56 g/mol
LogP4.84
Rot. Bonds5

About 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine

1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (PubChem CID 11233111) has the molecular formula C23H36N2 and a molecular weight of 340.56 g/mol. Its IUPAC name is 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
PubChem CID11233111
Molecular FormulaC23H36N2
Molecular Weight340.56 g/mol
Exact Mass340.29
IUPAC Name1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine
SMILESc1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1
InChIInChI=1S/C23H36N2/c1-2-12-22(13-3-1)25-18-16-24(17-19-25)15-7-11-21-10-6-9-20-8-4-5-14-23(20)21/h4-5,8,14,21-22H,1-3,6-7,9-13,15-19H2
InChIKeyYKRPIOCDRMZEBF-UHFFFAOYSA-N
XLogP4.84
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.56
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine (CID 11233111) is 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is c1ccc2c(c1)CCCC2CCCN1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
The InChIKey is YKRPIOCDRMZEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2/c1-2-12-22(13-3-1)25-18-16-24(17-19-25)15-7-11-21-10-6-9-20-8-4-5-14-23(20)21/h4-5,8,14,21-22H,1-3,6-7,9-13,15-19H2.
What are the key properties of 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine?
1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine has a molecular weight of 340.56 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[3-(1,2,3,4-tetrahydronaphthalen-1-yl)propyl]piperazine is sourced from PubChem (CID 11233111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).