1-[1-(3-methylphenyl)cyclohexyl]piperazine

C17H26N2 — CID 82300802

IUPAC1-[1-(3-methylphenyl)cyclohexyl]piperazine
SMILESCc1cccc(C2(N3CCNCC3)CCCCC2)c1
InChIInChI=1S/C17H26N2/c1-15-6-5-7-16(14-15)17(8-3-2-4-9-17)19-12-10-18-11-13-19/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyBUFMGXCVALRMBU-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.06
Rot. Bonds2

About 1-[1-(3-methylphenyl)cyclohexyl]piperazine

1-[1-(3-methylphenyl)cyclohexyl]piperazine (PubChem CID 82300802) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-[1-(3-methylphenyl)cyclohexyl]piperazine.

Molecular Properties

Compound Name1-[1-(3-methylphenyl)cyclohexyl]piperazine
PubChem CID82300802
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-[1-(3-methylphenyl)cyclohexyl]piperazine
SMILESCc1cccc(C2(N3CCNCC3)CCCCC2)c1
InChIInChI=1S/C17H26N2/c1-15-6-5-7-16(14-15)17(8-3-2-4-9-17)19-12-10-18-11-13-19/h5-7,14,18H,2-4,8-13H2,1H3
InChIKeyBUFMGXCVALRMBU-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methylphenyl)cyclohexyl]piperazine?
The IUPAC name of 1-[1-(3-methylphenyl)cyclohexyl]piperazine (CID 82300802) is 1-[1-(3-methylphenyl)cyclohexyl]piperazine.
What is the SMILES notation for 1-[1-(3-methylphenyl)cyclohexyl]piperazine?
The canonical SMILES for 1-[1-(3-methylphenyl)cyclohexyl]piperazine is Cc1cccc(C2(N3CCNCC3)CCCCC2)c1.
What is the InChIKey of 1-[1-(3-methylphenyl)cyclohexyl]piperazine?
The InChIKey is BUFMGXCVALRMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-15-6-5-7-16(14-15)17(8-3-2-4-9-17)19-12-10-18-11-13-19/h5-7,14,18H,2-4,8-13H2,1H3.
What are the key properties of 1-[1-(3-methylphenyl)cyclohexyl]piperazine?
1-[1-(3-methylphenyl)cyclohexyl]piperazine has a molecular weight of 258.41 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methylphenyl)cyclohexyl]piperazine is sourced from PubChem (CID 82300802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).