1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine

C19H30N2 — CID 64925110

IUPAC1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CCC2CCCCC2)CCN1
InChIInChI=1S/C19H30N2/c1-19(18-10-6-3-7-11-18)16-21(15-13-20-19)14-12-17-8-4-2-5-9-17/h3,6-7,10-11,17,20H,2,4-5,8-9,12-16H2,1H3
InChIKeyCONSTNKBDQJADM-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.78
Rot. Bonds4

About 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine

1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine (PubChem CID 64925110) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
PubChem CID64925110
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine
SMILESCC1(c2ccccc2)CN(CCC2CCCCC2)CCN1
InChIInChI=1S/C19H30N2/c1-19(18-10-6-3-7-11-18)16-21(15-13-20-19)14-12-17-8-4-2-5-9-17/h3,6-7,10-11,17,20H,2,4-5,8-9,12-16H2,1H3
InChIKeyCONSTNKBDQJADM-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine?
The IUPAC name of 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine (CID 64925110) is 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine.
What is the SMILES notation for 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine?
The canonical SMILES for 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine is CC1(c2ccccc2)CN(CCC2CCCCC2)CCN1.
What is the InChIKey of 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine?
The InChIKey is CONSTNKBDQJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-19(18-10-6-3-7-11-18)16-21(15-13-20-19)14-12-17-8-4-2-5-9-17/h3,6-7,10-11,17,20H,2,4-5,8-9,12-16H2,1H3.
What are the key properties of 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine?
1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylethyl)-3-methyl-3-phenylpiperazine is sourced from PubChem (CID 64925110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).