1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine

C18H29N3O — CID 91835394

IUPAC1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
SMILESCOC1CCCN(CCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H29N3O/c1-22-18-8-5-9-20(16-18)11-10-19-12-14-21(15-13-19)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3
InChIKeyXEWGLZQFSKAHEH-UHFFFAOYSA-N
MW303.45 g/mol
LogP1.92
Rot. Bonds5

About 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine

1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine (PubChem CID 91835394) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
PubChem CID91835394
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine
SMILESCOC1CCCN(CCN2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H29N3O/c1-22-18-8-5-9-20(16-18)11-10-19-12-14-21(15-13-19)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3
InChIKeyXEWGLZQFSKAHEH-UHFFFAOYSA-N
XLogP1.92
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-4-[2-(3-methoxypiperidin-1-yl)ethyl]piperazine
CID 91837664
3-methoxy-1-phenylpiperidine
CID 70382121
3-methoxy-1-(4-phenylbutyl)piperidine
CID 137341272
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
1-[2-[3-(1-methylimidazol-2-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 91828668
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382
1-[2-(3-methoxypiperidin-1-yl)ethyl]piperidin-4-amine
CID 102963901
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
1-[2-[(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]ethyl]-4-phenylpiperazine
CID 124750539
4-(3-methoxypiperidin-1-yl)-N-methyl-N-phenylbutanamide
CID 86744370
1-[(2-fluorophenyl)methyl]-3-methoxypiperidine
CID 136523280
2-(3-methoxypiperidin-1-yl)-N-methyl-1-phenylethanamine
CID 102965612

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine (CID 91835394) is 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine is COC1CCCN(CCN2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine?
The InChIKey is XEWGLZQFSKAHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-22-18-8-5-9-20(16-18)11-10-19-12-14-21(15-13-19)17-6-3-2-4-7-17/h2-4,6-7,18H,5,8-16H2,1H3.
What are the key properties of 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine?
1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine has a molecular weight of 303.45 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypiperidin-1-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 91835394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).