3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine

C16H25N3 — CID 64952009

IUPAC3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
SMILESCc1ccncc1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-13-7-8-17-11-16(13)19-10-9-18-15(12-19)14-5-3-2-4-6-14/h7-8,11,14-15,18H,2-6,9-10,12H2,1H3
InChIKeyUJYLKWJASJNIQA-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.75
Rot. Bonds2

About 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine

3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine (PubChem CID 64952009) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine.

Molecular Properties

Compound Name3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
PubChem CID64952009
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine
SMILESCc1ccncc1N1CCNC(C2CCCCC2)C1
InChIInChI=1S/C16H25N3/c1-13-7-8-17-11-16(13)19-10-9-18-15(12-19)14-5-3-2-4-6-14/h7-8,11,14-15,18H,2-6,9-10,12H2,1H3
InChIKeyUJYLKWJASJNIQA-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine?
The IUPAC name of 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine (CID 64952009) is 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine.
What is the SMILES notation for 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine?
The canonical SMILES for 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine is Cc1ccncc1N1CCNC(C2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine?
The InChIKey is UJYLKWJASJNIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13-7-8-17-11-16(13)19-10-9-18-15(12-19)14-5-3-2-4-6-14/h7-8,11,14-15,18H,2-6,9-10,12H2,1H3.
What are the key properties of 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine?
3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine has a molecular weight of 259.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(4-methyl-3-pyridinyl)piperazine is sourced from PubChem (CID 64952009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).