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

C19H31N3O3 — CID 141019589

IUPAC1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
SMILESCOc1cccc(N2CCN(CCCN3C(O)CCCC3O)CC2)c1
InChIInChI=1S/C19H31N3O3/c1-25-17-6-2-5-16(15-17)21-13-11-20(12-14-21)9-4-10-22-18(23)7-3-8-19(22)24/h2,5-6,15,18-19,23-24H,3-4,7-14H2,1H3
InChIKeyIFGIDJRLNBSSQQ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.33
Rot. Bonds6

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

1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol (PubChem CID 141019589) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol.

Molecular Properties

Compound Name1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
PubChem CID141019589
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol
SMILESCOc1cccc(N2CCN(CCCN3C(O)CCCC3O)CC2)c1
InChIInChI=1S/C19H31N3O3/c1-25-17-6-2-5-16(15-17)21-13-11-20(12-14-21)9-4-10-22-18(23)7-3-8-19(22)24/h2,5-6,15,18-19,23-24H,3-4,7-14H2,1H3
InChIKeyIFGIDJRLNBSSQQ-UHFFFAOYSA-N
XLogP1.33
TPSA59.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol;hydrochloride
CID 141019584
1-(6-chlorohexyl)-4-(3-methoxyphenyl)piperazine
CID 62229677
1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]piperidine-2,6-diol;hydrochloride
CID 141019598
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
1-(3-methoxyphenyl)-4-[(1-methylpiperidin-4-yl)methyl]piperazine
CID 171069764
2-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethoxy]ethanamine
CID 79479255
1-[3-(3-methoxyphenoxy)propyl]-4-phenylpiperazine
CID 3050368
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]propan-2-amine
CID 60841668
6-[4-(3-methoxyphenyl)piperazin-1-yl]hexan-3-amine
CID 106799286
2-[6-[4-(3-methoxyphenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione
CID 164621183
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
CID 63915152

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol?
The IUPAC name of 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol (CID 141019589) is 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol.
What is the SMILES notation for 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol?
The canonical SMILES for 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol is COc1cccc(N2CCN(CCCN3C(O)CCCC3O)CC2)c1.
What is the InChIKey of 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol?
The InChIKey is IFGIDJRLNBSSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-25-17-6-2-5-16(15-17)21-13-11-20(12-14-21)9-4-10-22-18(23)7-3-8-19(22)24/h2,5-6,15,18-19,23-24H,3-4,7-14H2,1H3.
What are the key properties of 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol?
1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol has a molecular weight of 349.48 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]piperidine-2,6-diol is sourced from PubChem (CID 141019589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).