4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

C19H31N3O — CID 68812752

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1N1CCN(CCC2CCC(N)CC2)CC1
InChIInChI=1S/C19H31N3O/c1-23-19-5-3-2-4-18(19)22-14-12-21(13-15-22)11-10-16-6-8-17(20)9-7-16/h2-5,16-17H,6-15,20H2,1H3
InChIKeyBOAPWMDILRCCHK-UHFFFAOYSA-N
MW317.48 g/mol
LogP2.72
Rot. Bonds5

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (PubChem CID 68812752) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
PubChem CID68812752
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
SMILESCOc1ccccc1N1CCN(CCC2CCC(N)CC2)CC1
InChIInChI=1S/C19H31N3O/c1-23-19-5-3-2-4-18(19)22-14-12-21(13-15-22)11-10-16-6-8-17(20)9-7-16/h2-5,16-17H,6-15,20H2,1H3
InChIKeyBOAPWMDILRCCHK-UHFFFAOYSA-N
XLogP2.72
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
1-(2-methoxyphenyl)piperidin-4-amine
CID 24708477
cyclohexanamine;1-ethyl-4-(2-methoxyphenyl)piperazine
CID 171492437
4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexan-1-amine
CID 10708578
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
N-[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]-4-nitrobenzenesulfonamide
CID 68907312
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
1-amino-4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylbutan-2-ol
CID 64819623
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine (CID 68812752) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is COc1ccccc1N1CCN(CCC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
The InChIKey is BOAPWMDILRCCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-23-19-5-3-2-4-18(19)22-14-12-21(13-15-22)11-10-16-6-8-17(20)9-7-16/h2-5,16-17H,6-15,20H2,1H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine has a molecular weight of 317.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 68812752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).