1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride

C20H34ClN3O3 — CID 141019598

IUPAC1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCN2C(O)CCCC2O)CC1.Cl
InChIInChI=1S/C20H33N3O3.ClH/c1-26-18-8-3-2-7-17(18)22-15-13-21(14-16-22)11-4-5-12-23-19(24)9-6-10-20(23)25;/h2-3,7-8,19-20,24-25H,4-6,9-16H2,1H3;1H
InChIKeyGLRRBEDIMHGVBK-UHFFFAOYSA-N
MW399.96 g/mol
LogP2.14
Rot. Bonds7

About 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride

1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride (PubChem CID 141019598) has the molecular formula C20H34ClN3O3 and a molecular weight of 399.96 g/mol. Its IUPAC name is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride.

Molecular Properties

Compound Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
PubChem CID141019598
Molecular FormulaC20H34ClN3O3
Molecular Weight399.96 g/mol
Exact Mass399.23
IUPAC Name1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
SMILESCOc1ccccc1N1CCN(CCCCN2C(O)CCCC2O)CC1.Cl
InChIInChI=1S/C20H33N3O3.ClH/c1-26-18-8-3-2-7-17(18)22-15-13-21(14-16-22)11-4-5-12-23-19(24)9-6-10-20(23)25;/h2-3,7-8,19-20,24-25H,4-6,9-16H2,1H3;1H
InChIKeyGLRRBEDIMHGVBK-UHFFFAOYSA-N
XLogP2.14
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.96
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
CID 141019584
2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol;dihydrochloride
CID 71671571
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]cyclopentan-1-ol
CID 62611272
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-N-methylcyclohexanecarboxamide
CID 139835093
N'-cyclohexyl-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389613
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride?
The IUPAC name of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride (CID 141019598) is 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride.
What is the SMILES notation for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride?
The canonical SMILES for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride is COc1ccccc1N1CCN(CCCCN2C(O)CCCC2O)CC1.Cl.
What is the InChIKey of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride?
The InChIKey is GLRRBEDIMHGVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O3.ClH/c1-26-18-8-3-2-7-17(18)22-15-13-21(14-16-22)11-4-5-12-23-19(24)9-6-10-20(23)25;/h2-3,7-8,19-20,24-25H,4-6,9-16H2,1H3;1H.
What are the key properties of 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride?
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride has a molecular weight of 399.96 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride is sourced from PubChem (CID 141019598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).