1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol

C19H31N3O3 — CID 112539976

IUPAC1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
SMILESCOc1cc(C(CN2CCC(O)CC2)N2CCNC(C)C2)ccc1O
InChIInChI=1S/C19H31N3O3/c1-14-12-22(10-7-20-14)17(13-21-8-5-16(23)6-9-21)15-3-4-18(24)19(11-15)25-2/h3-4,11,14,16-17,20,23-24H,5-10,12-13H2,1-2H3
InChIKeyASIYOGXTZMRGRZ-UHFFFAOYSA-N
MW349.48 g/mol
LogP1.19
Rot. Bonds5

About 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol

1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol (PubChem CID 112539976) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
PubChem CID112539976
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
SMILESCOc1cc(C(CN2CCC(O)CC2)N2CCNC(C)C2)ccc1O
InChIInChI=1S/C19H31N3O3/c1-14-12-22(10-7-20-14)17(13-21-8-5-16(23)6-9-21)15-3-4-18(24)19(11-15)25-2/h3-4,11,14,16-17,20,23-24H,5-10,12-13H2,1-2H3
InChIKeyASIYOGXTZMRGRZ-UHFFFAOYSA-N
XLogP1.19
TPSA68.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(4-fluorophenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol
CID 83978195
4-[2-(3,4-dimethoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]morpholine
CID 112539497
2-chloro-4-[1-(3-methylpiperazin-1-yl)-2-pyrrolidin-1-ylethyl]phenol
CID 83979668
1-[2-(3-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]piperidin-4-ol
CID 83979406
2-(4-ethoxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979284
2-(4-methoxy-3-propan-2-yloxyphenyl)-2-(3-methylpiperazin-1-yl)ethanol
CID 83979559
1-[1-(3-chlorophenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-methylpiperazine
CID 83977826
2-(3,4-dimethoxyphenyl)-N,N-diethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83978280
2-(4-ethoxy-3-methoxyphenyl)-N,N-dimethyl-2-(3-methylpiperazin-1-yl)ethanamine
CID 83979287
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
1-[1-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-methylpiperazine
CID 83978178

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol (CID 112539976) is 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol is COc1cc(C(CN2CCC(O)CC2)N2CCNC(C)C2)ccc1O.
What is the InChIKey of 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
The InChIKey is ASIYOGXTZMRGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-14-12-22(10-7-20-14)17(13-21-8-5-16(23)6-9-21)15-3-4-18(24)19(11-15)25-2/h3-4,11,14,16-17,20,23-24H,5-10,12-13H2,1-2H3.
What are the key properties of 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol?
1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol has a molecular weight of 349.48 g/mol, XLogP of 1.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylpiperazin-1-yl)ethyl]piperidin-4-ol is sourced from PubChem (CID 112539976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).