1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine

C17H21N3O — CID 83137838

IUPAC1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
SMILESCc1cc(OCc2cccnc2)ccc1N1CCNCC1
InChIInChI=1S/C17H21N3O/c1-14-11-16(21-13-15-3-2-6-19-12-15)4-5-17(14)20-9-7-18-8-10-20/h2-6,11-12,18H,7-10,13H2,1H3
InChIKeySAQKUXSHSIHGPK-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.38
Rot. Bonds4

About 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine

1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine (PubChem CID 83137838) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
PubChem CID83137838
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine
SMILESCc1cc(OCc2cccnc2)ccc1N1CCNCC1
InChIInChI=1S/C17H21N3O/c1-14-11-16(21-13-15-3-2-6-19-12-15)4-5-17(14)20-9-7-18-8-10-20/h2-6,11-12,18H,7-10,13H2,1H3
InChIKeySAQKUXSHSIHGPK-UHFFFAOYSA-N
XLogP2.38
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methyl-3-(pyridin-3-ylmethoxy)phenyl]piperazine
CID 25263310
4-piperazin-1-yl-7-(pyridin-3-ylmethoxy)chromen-2-one
CID 16735942
1-[4-(3-methoxypropoxy)-2-methylphenyl]piperazine
CID 83134815
1-methyl-6-(pyridin-3-ylmethoxy)-2,3-dihydroindole
CID 118567165
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
1-(4-butoxy-2-methylphenyl)-1,4-diazepane
CID 83134110
1-(3-methyl-4-pyridinyl)piperazine;dihydrochloride
CID 154825583
1-[3-[(3-chlorophenoxy)methyl]-4-pyridinyl]piperazine
CID 72549929
4-(6-piperazin-1-yl-3-pyridinyl)-6-(pyridin-3-ylmethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436930
1-[5-[(3-methyl-2-pyridinyl)methoxy]-3-pyridinyl]piperazine
CID 115982424
3-[(7-methoxynaphthalen-2-yl)oxymethyl]pyridine
CID 166203848

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine?
The IUPAC name of 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine (CID 83137838) is 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine.
What is the SMILES notation for 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine?
The canonical SMILES for 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine is Cc1cc(OCc2cccnc2)ccc1N1CCNCC1.
What is the InChIKey of 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine?
The InChIKey is SAQKUXSHSIHGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-14-11-16(21-13-15-3-2-6-19-12-15)4-5-17(14)20-9-7-18-8-10-20/h2-6,11-12,18H,7-10,13H2,1H3.
What are the key properties of 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine?
1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine has a molecular weight of 283.38 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-4-(pyridin-3-ylmethoxy)phenyl]piperazine is sourced from PubChem (CID 83137838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).