1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine

C25H35N3O — CID 46851398

IUPAC1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine
SMILESCOc1ccc(C(C)N2CCC(N3CCN(c4ccccc4C)CC3)CC2)cc1
InChIInChI=1S/C25H35N3O/c1-20-6-4-5-7-25(20)28-18-16-27(17-19-28)23-12-14-26(15-13-23)21(2)22-8-10-24(29-3)11-9-22/h4-11,21,23H,12-19H2,1-3H3
InChIKeyAYKWDYPFLJCSSU-UHFFFAOYSA-N
MW393.58 g/mol
LogP4.35
Rot. Bonds5

About 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine

1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine (PubChem CID 46851398) has the molecular formula C25H35N3O and a molecular weight of 393.58 g/mol. Its IUPAC name is 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine.

Molecular Properties

Compound Name1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine
PubChem CID46851398
Molecular FormulaC25H35N3O
Molecular Weight393.58 g/mol
Exact Mass393.28
IUPAC Name1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine
SMILESCOc1ccc(C(C)N2CCC(N3CCN(c4ccccc4C)CC3)CC2)cc1
InChIInChI=1S/C25H35N3O/c1-20-6-4-5-7-25(20)28-18-16-27(17-19-28)23-12-14-26(15-13-23)21(2)22-8-10-24(29-3)11-9-22/h4-11,21,23H,12-19H2,1-3H3
InChIKeyAYKWDYPFLJCSSU-UHFFFAOYSA-N
XLogP4.35
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine?
The IUPAC name of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine (CID 46851398) is 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine.
What is the SMILES notation for 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine?
The canonical SMILES for 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine is COc1ccc(C(C)N2CCC(N3CCN(c4ccccc4C)CC3)CC2)cc1.
What is the InChIKey of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine?
The InChIKey is AYKWDYPFLJCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O/c1-20-6-4-5-7-25(20)28-18-16-27(17-19-28)23-12-14-26(15-13-23)21(2)22-8-10-24(29-3)11-9-22/h4-11,21,23H,12-19H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine?
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine has a molecular weight of 393.58 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-4-(2-methylphenyl)piperazine is sourced from PubChem (CID 46851398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).