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

C20H27N3O — CID 170863930

IUPAC1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2cccc(OCc3cccnc3)c2)CC1
InChIInChI=1S/C20H27N3O/c1-22-11-13-23(14-12-22)10-4-7-18-5-2-8-20(15-18)24-17-19-6-3-9-21-16-19/h2-3,5-6,8-9,15-16H,4,7,10-14,17H2,1H3
InChIKeyDCXUHFJKAIBQFI-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.84
Rot. Bonds7

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

1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine (PubChem CID 170863930) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
PubChem CID170863930
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine
SMILESCN1CCN(CCCc2cccc(OCc3cccnc3)c2)CC1
InChIInChI=1S/C20H27N3O/c1-22-11-13-23(14-12-22)10-4-7-18-5-2-8-20(15-18)24-17-19-6-3-9-21-16-19/h2-3,5-6,8-9,15-16H,4,7,10-14,17H2,1H3
InChIKeyDCXUHFJKAIBQFI-UHFFFAOYSA-N
XLogP2.84
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
3-(3-pyrrolidin-1-ylpropyl)pyridine
CID 70096862
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CID 118567165
5-[3-(pyridin-3-ylmethoxy)phenyl]pentanoic acid
CID 139922006
1-[3-(3-iodophenyl)propyl]-4-methylpiperazine
CID 170862396
4-[3-[3-[(3-bromophenyl)methoxy]phenyl]propyl]morpholine
CID 170870395
[3-[3-(4-methylpiperazin-1-yl)propyl]phenyl] cyclopropanecarboxylate
CID 170863719
7-[3-(4-methylpiperazin-1-yl)propyl]quinoline
CID 170863487
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
N-(3-piperazin-1-ylpropyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 119391833
1-(3-pyridin-3-ylpropyl)piperazine;trihydrochloride
CID 86694323
[3-[3-(4-methyl-1,4-diazepan-1-yl)propoxy]phenyl]methanamine
CID 43253676

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine?
The IUPAC name of 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine (CID 170863930) is 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine.
What is the SMILES notation for 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine?
The canonical SMILES for 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine is CN1CCN(CCCc2cccc(OCc3cccnc3)c2)CC1.
What is the InChIKey of 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine?
The InChIKey is DCXUHFJKAIBQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-22-11-13-23(14-12-22)10-4-7-18-5-2-8-20(15-18)24-17-19-6-3-9-21-16-19/h2-3,5-6,8-9,15-16H,4,7,10-14,17H2,1H3.
What are the key properties of 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine?
1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine has a molecular weight of 325.46 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[3-(pyridin-3-ylmethoxy)phenyl]propyl]piperazine is sourced from PubChem (CID 170863930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).