1,4-bis(cyclohexylmethyl)piperazine

C18H34N2 — CID 12869916

IUPAC1,4-bis(cyclohexylmethyl)piperazine
SMILESC1CCC(CN2CCN(CC3CCCCC3)CC2)CC1
InChIInChI=1S/C18H34N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h17-18H,1-16H2
InChIKeyMVTOMMBTYNKKNE-UHFFFAOYSA-N
MW278.48 g/mol
LogP3.76
Rot. Bonds4

About 1,4-bis(cyclohexylmethyl)piperazine

1,4-bis(cyclohexylmethyl)piperazine (PubChem CID 12869916) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 1,4-bis(cyclohexylmethyl)piperazine.

Molecular Properties

Compound Name1,4-bis(cyclohexylmethyl)piperazine
PubChem CID12869916
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name1,4-bis(cyclohexylmethyl)piperazine
SMILESC1CCC(CN2CCN(CC3CCCCC3)CC2)CC1
InChIInChI=1S/C18H34N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h17-18H,1-16H2
InChIKeyMVTOMMBTYNKKNE-UHFFFAOYSA-N
XLogP3.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.48
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,4-bis(cyclohexylmethyl)piperazine?
The IUPAC name of 1,4-bis(cyclohexylmethyl)piperazine (CID 12869916) is 1,4-bis(cyclohexylmethyl)piperazine.
What is the SMILES notation for 1,4-bis(cyclohexylmethyl)piperazine?
The canonical SMILES for 1,4-bis(cyclohexylmethyl)piperazine is C1CCC(CN2CCN(CC3CCCCC3)CC2)CC1.
What is the InChIKey of 1,4-bis(cyclohexylmethyl)piperazine?
The InChIKey is MVTOMMBTYNKKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-3-7-17(8-4-1)15-19-11-13-20(14-12-19)16-18-9-5-2-6-10-18/h17-18H,1-16H2.
What are the key properties of 1,4-bis(cyclohexylmethyl)piperazine?
1,4-bis(cyclohexylmethyl)piperazine has a molecular weight of 278.48 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(cyclohexylmethyl)piperazine is sourced from PubChem (CID 12869916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).