1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine

C18H23N3O — CID 4023564

IUPAC1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(C)cn2)N2CCNCC2)c1
InChIInChI=1S/C18H23N3O/c1-14-6-7-17(20-13-14)18(21-10-8-19-9-11-21)15-4-3-5-16(12-15)22-2/h3-7,12-13,18-19H,8-11H2,1-2H3
InChIKeyMBIICMLGIPMESC-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.39
Rot. Bonds4

About 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine

1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine (PubChem CID 4023564) has the molecular formula C18H23N3O and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
PubChem CID4023564
Molecular FormulaC18H23N3O
Molecular Weight297.40 g/mol
Exact Mass297.18
IUPAC Name1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(C)cn2)N2CCNCC2)c1
InChIInChI=1S/C18H23N3O/c1-14-6-7-17(20-13-14)18(21-10-8-19-9-11-21)15-4-3-5-16(12-15)22-2/h3-7,12-13,18-19H,8-11H2,1-2H3
InChIKeyMBIICMLGIPMESC-UHFFFAOYSA-N
XLogP2.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-ethoxyphenyl)-(5-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 3732221
1-[(3-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 3721209
1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3847657
1-[(2,5-dimethylphenyl)-(3-methoxyphenyl)methyl]-1,4-diazepane
CID 3346383
1-[(5-methyl-2-pyridinyl)-(2,4,5-trimethoxyphenyl)methyl]piperazine
CID 3580292
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 5036004
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
CID 3836641
3-[(5-methyl-2-pyridinyl)-piperazin-1-ylmethyl]quinoline
CID 3580411
1-[(5-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperazine
CID 5017511
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine (CID 4023564) is 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine is COc1cccc(C(c2ccc(C)cn2)N2CCNCC2)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
The InChIKey is MBIICMLGIPMESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O/c1-14-6-7-17(20-13-14)18(21-10-8-19-9-11-21)15-4-3-5-16(12-15)22-2/h3-7,12-13,18-19H,8-11H2,1-2H3.
What are the key properties of 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine?
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine has a molecular weight of 297.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 4023564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).