1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine

C24H33N3O — CID 45237596

IUPAC1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H33N3O/c1-28-24-12-6-5-11-23(24)27-18-16-26(17-19-27)22-10-7-14-25(20-22)15-13-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-20H2,1H3
InChIKeyALCMGIDWIGHRIN-UHFFFAOYSA-N
MW379.55 g/mol
LogP3.52
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine

1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine (PubChem CID 45237596) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
PubChem CID45237596
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC Name1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(CCc3ccccc3)C2)CC1
InChIInChI=1S/C24H33N3O/c1-28-24-12-6-5-11-23(24)27-18-16-26(17-19-27)22-10-7-14-25(20-22)15-13-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-20H2,1H3
InChIKeyALCMGIDWIGHRIN-UHFFFAOYSA-N
XLogP3.52
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
CID 45207866
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-(2-methoxyphenyl)-4-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347
1-[(3R)-1-cyclobutylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 92709243
3-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-2,2-dimethylpropan-1-ol
CID 51636421
1-(2-methoxyphenyl)-4-[1-(3-phenylpropyl)piperidin-4-yl]piperazine;oxalic acid
CID 17369301
1-[(3R)-1-benzylsulfonylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 42291255
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-[1-(1-benzylpiperidin-4-yl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
CID 5115878
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine (CID 45237596) is 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine is COc1ccccc1N1CCN(C2CCCN(CCc3ccccc3)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine?
The InChIKey is ALCMGIDWIGHRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-28-24-12-6-5-11-23(24)27-18-16-26(17-19-27)22-10-7-14-25(20-22)15-13-21-8-3-2-4-9-21/h2-6,8-9,11-12,22H,7,10,13-20H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine has a molecular weight of 379.55 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine is sourced from PubChem (CID 45237596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).