2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride

C16H26ClN3O2 — CID 120967910

IUPAC2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
SMILESCOc1c(O)cccc1CN1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-21-16-13(3-2-4-15(16)20)11-18-8-5-14(12-18)19-9-6-17-7-10-19;/h2-4,14,17,20H,5-12H2,1H3;1H
InChIKeyGFPUMQPRUPGUII-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.30
Rot. Bonds4

About 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride

2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride (PubChem CID 120967910) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride.

Molecular Properties

Compound Name2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
PubChem CID120967910
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
SMILESCOc1c(O)cccc1CN1CCC(N2CCNCC2)C1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-21-16-13(3-2-4-15(16)20)11-18-8-5-14(12-18)19-9-6-17-7-10-19;/h2-4,14,17,20H,5-12H2,1H3;1H
InChIKeyGFPUMQPRUPGUII-UHFFFAOYSA-N
XLogP1.30
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methoxy-5-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967778
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
1-[[3-(difluoromethyl)-2-methoxyphenyl]methyl]piperazine
CID 117394079
1-[1-[(4,5-dimethoxy-2-methylsulfanylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120967616
7-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-1H-indazole
CID 120968620
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
1-[1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968337
N-(cyclopropylmethyl)-2-[2-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenoxy]acetamide;hydrochloride
CID 120967808
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967780

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride?
The IUPAC name of 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride (CID 120967910) is 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride.
What is the SMILES notation for 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride?
The canonical SMILES for 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride is COc1c(O)cccc1CN1CCC(N2CCNCC2)C1.Cl.
What is the InChIKey of 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride?
The InChIKey is GFPUMQPRUPGUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-21-16-13(3-2-4-15(16)20)11-18-8-5-14(12-18)19-9-6-17-7-10-19;/h2-4,14,17,20H,5-12H2,1H3;1H.
What are the key properties of 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride?
2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride is sourced from PubChem (CID 120967910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).