1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine

C19H30N2 — CID 782498

IUPAC1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(CC3CCCCC3)CC2)c1
InChIInChI=1S/C19H30N2/c1-16-8-9-17(2)19(14-16)21-12-10-20(11-13-21)15-18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3
InChIKeyYFNHLNRRJFTRNW-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.01
Rot. Bonds3

About 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine

1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine (PubChem CID 782498) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine
PubChem CID782498
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine
SMILESCc1ccc(C)c(N2CCN(CC3CCCCC3)CC2)c1
InChIInChI=1S/C19H30N2/c1-16-8-9-17(2)19(14-16)21-12-10-20(11-13-21)15-18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3
InChIKeyYFNHLNRRJFTRNW-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine?
The IUPAC name of 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine (CID 782498) is 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine.
What is the SMILES notation for 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine?
The canonical SMILES for 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine is Cc1ccc(C)c(N2CCN(CC3CCCCC3)CC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine?
The InChIKey is YFNHLNRRJFTRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16-8-9-17(2)19(14-16)21-12-10-20(11-13-21)15-18-6-4-3-5-7-18/h8-9,14,18H,3-7,10-13,15H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine?
1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine has a molecular weight of 286.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-4-(2,5-dimethylphenyl)piperazine is sourced from PubChem (CID 782498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).