1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride

C19H32ClN3O3 — CID 141019584

IUPAC1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
SMILESCOc1ccc(N2CCN(CCCN3C(O)CCCC3O)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O3.ClH/c1-25-17-8-6-16(7-9-17)21-14-12-20(13-15-21)10-3-11-22-18(23)4-2-5-19(22)24;/h6-9,18-19,23-24H,2-5,10-15H2,1H3;1H
InChIKeyVSOGXAFHHKEFOX-UHFFFAOYSA-N
MW385.94 g/mol
LogP1.75
Rot. Bonds6

About 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride

1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride (PubChem CID 141019584) has the molecular formula C19H32ClN3O3 and a molecular weight of 385.94 g/mol. Its IUPAC name is 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride.

Molecular Properties

Compound Name1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
PubChem CID141019584
Molecular FormulaC19H32ClN3O3
Molecular Weight385.94 g/mol
Exact Mass385.21
IUPAC Name1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
SMILESCOc1ccc(N2CCN(CCCN3C(O)CCCC3O)CC2)cc1.Cl
InChIInChI=1S/C19H31N3O3.ClH/c1-25-17-8-6-16(7-9-17)21-14-12-20(13-15-21)10-3-11-22-18(23)4-2-5-19(22)24;/h6-9,18-19,23-24H,2-5,10-15H2,1H3;1H
InChIKeyVSOGXAFHHKEFOX-UHFFFAOYSA-N
XLogP1.75
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.94
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
CID 141019589
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine;hydrochloride
CID 68547015
1-(4-methoxyphenyl)-4-(2-piperidin-1-ylethyl)piperazine
CID 1439447
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
4-[4-(4-methoxyphenyl)piperazin-1-yl]butanethioamide
CID 24693485
1-[4-(9H-fluoren-9-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 139945708
6-[4-(4-methoxyphenyl)piperazin-1-yl]hexan-3-ol
CID 106802258
N-ethyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]butan-1-amine
CID 62425678
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
1-cyclopropyl-2-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-1-methylguanidine;hydroiodide
CID 110029609
N'-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-N-methyloxamide
CID 42390380

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride?
The IUPAC name of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride (CID 141019584) is 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride.
What is the SMILES notation for 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride?
The canonical SMILES for 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride is COc1ccc(N2CCN(CCCN3C(O)CCCC3O)CC2)cc1.Cl.
What is the InChIKey of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride?
The InChIKey is VSOGXAFHHKEFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3.ClH/c1-25-17-8-6-16(7-9-17)21-14-12-20(13-15-21)10-3-11-22-18(23)4-2-5-19(22)24;/h6-9,18-19,23-24H,2-5,10-15H2,1H3;1H.
What are the key properties of 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride?
1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride has a molecular weight of 385.94 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride is sourced from PubChem (CID 141019584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).