1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride

C16H27Cl2N3O — CID 175654296

IUPAC1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
SMILESCOc1ccc(N2CCN(C3CCNCC3)CC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-20-16-4-2-14(3-5-16)18-10-12-19(13-11-18)15-6-8-17-9-7-15;;/h2-5,15,17H,6-13H2,1H3;2*1H
InChIKeyUELDAUKLTNUQBT-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.41
Rot. Bonds3

About 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride

1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride (PubChem CID 175654296) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
PubChem CID175654296
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride
SMILESCOc1ccc(N2CCN(C3CCNCC3)CC2)cc1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-20-16-4-2-14(3-5-16)18-10-12-19(13-11-18)15-6-8-17-9-7-15;;/h2-5,15,17H,6-13H2,1H3;2*1H
InChIKeyUELDAUKLTNUQBT-UHFFFAOYSA-N
XLogP2.41
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxyphenyl)-4-[(3R)-piperidin-3-yl]piperazine
CID 94678404
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
2-(4-methoxyphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]-N-[(1-piperidin-4-ylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 171470186
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
2-(4-cyclopropylpiperazin-1-yl)-6-methoxyquinoline;dihydrochloride
CID 11302721
1-(4-methoxyphenyl)piperidine
CID 10130315
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
1-[(3R)-1-[(E)-3-(4-fluorophenyl)prop-2-enyl]piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 29253860
(4-methoxyphenyl)-[4-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone;oxalic acid
CID 2910930
2-hydroxy-1-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 95714702
1-[1-(3-cyclopentylpropyl)piperidin-3-yl]-4-(4-methoxyphenyl)piperazine
CID 45233236

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride?
The IUPAC name of 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride (CID 175654296) is 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride.
What is the SMILES notation for 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride?
The canonical SMILES for 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride is COc1ccc(N2CCN(C3CCNCC3)CC2)cc1.Cl.Cl.
What is the InChIKey of 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride?
The InChIKey is UELDAUKLTNUQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-20-16-4-2-14(3-5-16)18-10-12-19(13-11-18)15-6-8-17-9-7-15;;/h2-5,15,17H,6-13H2,1H3;2*1H.
What are the key properties of 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride?
1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-4-piperidin-4-ylpiperazine;dihydrochloride is sourced from PubChem (CID 175654296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).