1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine

C18H22ClN3O — CID 3045003

IUPAC1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine
SMILESCOC(CN1CCN(c2ccccc2Cl)CC1)c1cccnc1
InChIInChI=1S/C18H22ClN3O/c1-23-18(15-5-4-8-20-13-15)14-21-9-11-22(12-10-21)17-7-3-2-6-16(17)19/h2-8,13,18H,9-12,14H2,1H3
InChIKeyHONKOOXYBLOMNX-UHFFFAOYSA-N
MW331.85 g/mol
LogP3.24
Rot. Bonds5

About 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine

1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine (PubChem CID 3045003) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine
PubChem CID3045003
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC Name1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine
SMILESCOC(CN1CCN(c2ccccc2Cl)CC1)c1cccnc1
InChIInChI=1S/C18H22ClN3O/c1-23-18(15-5-4-8-20-13-15)14-21-9-11-22(12-10-21)17-7-3-2-6-16(17)19/h2-8,13,18H,9-12,14H2,1H3
InChIKeyHONKOOXYBLOMNX-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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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine (CID 3045003) is 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine is COC(CN1CCN(c2ccccc2Cl)CC1)c1cccnc1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine?
The InChIKey is HONKOOXYBLOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-23-18(15-5-4-8-20-13-15)14-21-9-11-22(12-10-21)17-7-3-2-6-16(17)19/h2-8,13,18H,9-12,14H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine?
1-(2-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)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-chlorophenyl)-4-(2-methoxy-2-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 3045003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).