(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine

C17H26N2 — CID 11543442

IUPAC(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2ccc(C3CCCCC3)cc2)CCN1
InChIInChI=1S/C17H26N2/c1-14-13-19(12-11-18-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15,18H,2-6,11-13H2,1H3/t14-/m1/s1
InChIKeyORSHUHJJPMIRSZ-CQSZACIVSA-N
MW258.41 g/mol
LogP3.53
Rot. Bonds2

About (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine

(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine (PubChem CID 11543442) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine.

Molecular Properties

Compound Name(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine
PubChem CID11543442
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine
SMILESC[C@@H]1CN(c2ccc(C3CCCCC3)cc2)CCN1
InChIInChI=1S/C17H26N2/c1-14-13-19(12-11-18-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15,18H,2-6,11-13H2,1H3/t14-/m1/s1
InChIKeyORSHUHJJPMIRSZ-CQSZACIVSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine?
The IUPAC name of (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine (CID 11543442) is (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine.
What is the SMILES notation for (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine?
The canonical SMILES for (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine is C[C@@H]1CN(c2ccc(C3CCCCC3)cc2)CCN1.
What is the InChIKey of (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine?
The InChIKey is ORSHUHJJPMIRSZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H26N2/c1-14-13-19(12-11-18-14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h7-10,14-15,18H,2-6,11-13H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine?
(3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine has a molecular weight of 258.41 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-cyclohexylphenyl)-3-methylpiperazine is sourced from PubChem (CID 11543442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).