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

C20H33N3O — CID 45207866

IUPAC1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(CC(C)C)C2)CC1
InChIInChI=1S/C20H33N3O/c1-17(2)15-21-10-6-7-18(16-21)22-11-13-23(14-12-22)19-8-4-5-9-20(19)24-3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3
InChIKeyKSRJNUVGJPLLHN-UHFFFAOYSA-N
MW331.50 g/mol
LogP2.94
Rot. Bonds5

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

1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine (PubChem CID 45207866) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
PubChem CID45207866
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine
SMILESCOc1ccccc1N1CCN(C2CCCN(CC(C)C)C2)CC1
InChIInChI=1S/C20H33N3O/c1-17(2)15-21-10-6-7-18(16-21)22-11-13-23(14-12-22)19-8-4-5-9-20(19)24-3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3
InChIKeyKSRJNUVGJPLLHN-UHFFFAOYSA-N
XLogP2.94
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyphenyl)-4-[1-(2-phenylethyl)piperidin-3-yl]piperazine
CID 45237596
1-[(3R)-1-but-3-enylpiperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 95709049
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-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]piperazine
CID 45201347
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
1-(2-methoxyphenyl)-4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45216724
1-[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 28685153
1-[(3S)-1-[(4,5-dimethylfuran-2-yl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 29021888
1-(2-methoxyphenyl)-4-[(3R)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]piperazine
CID 28786689
2-(2-methoxyphenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79930320
2-[[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methyl]-3-methyl-1H-indole
CID 29219340

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine (CID 45207866) is 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine is COc1ccccc1N1CCN(C2CCCN(CC(C)C)C2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine?
The InChIKey is KSRJNUVGJPLLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-17(2)15-21-10-6-7-18(16-21)22-11-13-23(14-12-22)19-8-4-5-9-20(19)24-3/h4-5,8-9,17-18H,6-7,10-16H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine?
1-(2-methoxyphenyl)-4-[1-(2-methylpropyl)piperidin-3-yl]piperazine has a molecular weight of 331.50 g/mol, XLogP of 2.94, 5 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-methylpropyl)piperidin-3-yl]piperazine is sourced from PubChem (CID 45207866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).