1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine

C18H22ClN3O — CID 133313594

IUPAC1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
SMILESCc1cccc(N2CCN(CCOc3ccccc3Cl)CC2)n1
InChIInChI=1S/C18H22ClN3O/c1-15-5-4-8-18(20-15)22-11-9-21(10-12-22)13-14-23-17-7-3-2-6-16(17)19/h2-8H,9-14H2,1H3
InChIKeyYQHHQJMOHGSJPP-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine

1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine (PubChem CID 133313594) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
PubChem CID133313594
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine
SMILESCc1cccc(N2CCN(CCOc3ccccc3Cl)CC2)n1
InChIInChI=1S/C18H22ClN3O/c1-15-5-4-8-18(20-15)22-11-9-21(10-12-22)13-14-23-17-7-3-2-6-16(17)19/h2-8H,9-14H2,1H3
InChIKeyYQHHQJMOHGSJPP-UHFFFAOYSA-N
XLogP3.24
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methyl-2-pyridinyl)-4-(2-phenylethyl)piperazine
CID 133313558
1-[3-[5-chloro-2-(2-phenylethoxy)phenyl]propyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 10623414
1-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanone
CID 33323329
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 35957748
3-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(2,6-dichlorophenyl)propanamide
CID 24589425
1-(6-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 133313241
1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 75498823
1-[2-(2-chlorophenoxy)ethyl]-4-(3-nitro-2-pyridinyl)piperazine
CID 17419305
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[2-(2-chlorophenoxy)ethyl]-4-(2-chlorophenyl)sulfonylpiperazine
CID 9391115
5-[(2S)-4-[2-(2-chlorophenoxy)ethyl]-1-methylpiperazin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 129351338
[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-phenylmethanone
CID 78787888

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine (CID 133313594) is 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine is Cc1cccc(N2CCN(CCOc3ccccc3Cl)CC2)n1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine?
The InChIKey is YQHHQJMOHGSJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-15-5-4-8-18(20-15)22-11-9-21(10-12-22)13-14-23-17-7-3-2-6-16(17)19/h2-8H,9-14H2,1H3.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine?
1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine has a molecular weight of 331.85 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-4-(6-methyl-2-pyridinyl)piperazine is sourced from PubChem (CID 133313594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).