1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine

C18H22ClN3 — CID 57223351

IUPAC1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine
SMILESCC1(CCc2ccccc2)CN(c2ccc(Cl)cn2)CCN1
InChIInChI=1S/C18H22ClN3/c1-18(10-9-15-5-3-2-4-6-15)14-22(12-11-21-18)17-8-7-16(19)13-20-17/h2-8,13,21H,9-12,14H2,1H3
InChIKeyFZAVWBXDSCLHAF-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.54
Rot. Bonds4

About 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine

1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine (PubChem CID 57223351) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine.

Molecular Properties

Compound Name1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine
PubChem CID57223351
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine
SMILESCC1(CCc2ccccc2)CN(c2ccc(Cl)cn2)CCN1
InChIInChI=1S/C18H22ClN3/c1-18(10-9-15-5-3-2-4-6-15)14-22(12-11-21-18)17-8-7-16(19)13-20-17/h2-8,13,21H,9-12,14H2,1H3
InChIKeyFZAVWBXDSCLHAF-UHFFFAOYSA-N
XLogP3.54
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine?
The IUPAC name of 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine (CID 57223351) is 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine.
What is the SMILES notation for 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine?
The canonical SMILES for 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine is CC1(CCc2ccccc2)CN(c2ccc(Cl)cn2)CCN1.
What is the InChIKey of 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine?
The InChIKey is FZAVWBXDSCLHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-18(10-9-15-5-3-2-4-6-15)14-22(12-11-21-18)17-8-7-16(19)13-20-17/h2-8,13,21H,9-12,14H2,1H3.
What are the key properties of 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine?
1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine has a molecular weight of 315.85 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-pyridinyl)-3-methyl-3-(2-phenylethyl)piperazine is sourced from PubChem (CID 57223351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).