cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine

C19H33N3O — CID 171492437

IUPACcyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
SMILESCCN1CCN(c2ccccc2OC)CC1.NC1CCCCC1
InChIInChI=1S/C13H20N2O.C6H13N/c1-3-14-8-10-15(11-9-14)12-6-4-5-7-13(12)16-2;7-6-4-2-1-3-5-6/h4-7H,3,8-11H2,1-2H3;6H,1-5,7H2
InChIKeySAUFJNBHORNOOX-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.11
Rot. Bonds3

About cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine

cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine (PubChem CID 171492437) has the molecular formula C19H33N3O and a molecular weight of 319.49 g/mol. Its IUPAC name is cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Namecyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
PubChem CID171492437
Molecular FormulaC19H33N3O
Molecular Weight319.49 g/mol
Exact Mass319.26
IUPAC Namecyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
SMILESCCN1CCN(c2ccccc2OC)CC1.NC1CCCCC1
InChIInChI=1S/C13H20N2O.C6H13N/c1-3-14-8-10-15(11-9-14)12-6-4-5-7-13(12)16-2;7-6-4-2-1-3-5-6/h4-7H,3,8-11H2,1-2H3;6H,1-5,7H2
InChIKeySAUFJNBHORNOOX-UHFFFAOYSA-N
XLogP3.11
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
(2R)-2-(cyclohexylmethyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 18726870
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
1-[[(1R)-cyclohex-3-en-1-yl]methyl]-4-(2-methoxyphenyl)piperazine
CID 40533110
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
1-[(3-cyclohexylimidazol-4-yl)methyl]-4-(2-methoxyphenyl)piperazine
CID 91831981
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine?
The IUPAC name of cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine (CID 171492437) is cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine is CCN1CCN(c2ccccc2OC)CC1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine?
The InChIKey is SAUFJNBHORNOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.C6H13N/c1-3-14-8-10-15(11-9-14)12-6-4-5-7-13(12)16-2;7-6-4-2-1-3-5-6/h4-7H,3,8-11H2,1-2H3;6H,1-5,7H2.
What are the key properties of cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine?
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine has a molecular weight of 319.49 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 171492437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).