1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine

C19H24ClN3 — CID 171916198

IUPAC1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine
SMILESCc1cnc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H24ClN3/c1-15-10-16(2)19(21-12-15)14-23-8-6-22(7-9-23)13-17-4-3-5-18(20)11-17/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyGRHOTLYLPCYRIJ-UHFFFAOYSA-N
MW329.88 g/mol
LogP3.67
Rot. Bonds4

About 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine

1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine (PubChem CID 171916198) has the molecular formula C19H24ClN3 and a molecular weight of 329.88 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine
PubChem CID171916198
Molecular FormulaC19H24ClN3
Molecular Weight329.88 g/mol
Exact Mass329.17
IUPAC Name1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine
SMILESCc1cnc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1
InChIInChI=1S/C19H24ClN3/c1-15-10-16(2)19(21-12-15)14-23-8-6-22(7-9-23)13-17-4-3-5-18(20)11-17/h3-5,10-12H,6-9,13-14H2,1-2H3
InChIKeyGRHOTLYLPCYRIJ-UHFFFAOYSA-N
XLogP3.67
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.88
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]pyrrolidine
CID 12738005
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
1-[(3-chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 3133648
1-[(3-chlorophenyl)methyl]-4-methyl-1,4-diazepane
CID 764025
1-(2-bromoethyl)-4-[(3-chlorophenyl)methyl]piperazine
CID 80675337
1-[(3-chlorophenyl)methyl]-4-(3-chloro-4-pyridinyl)piperazine
CID 133358248
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
1-[(3-chlorophenyl)methyl]-4-methylpiperazine;oxalic acid
CID 45156065
6-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-3-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 92563327
1-[(3-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl]piperazine;oxalic acid
CID 2874542
1-[(3-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)sulfonylpiperazine
CID 4849534
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-3-methoxypyrazine
CID 72866776

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine (CID 171916198) is 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine is Cc1cnc(CN2CCN(Cc3cccc(Cl)c3)CC2)c(C)c1.
What is the InChIKey of 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine?
The InChIKey is GRHOTLYLPCYRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3/c1-15-10-16(2)19(21-12-15)14-23-8-6-22(7-9-23)13-17-4-3-5-18(20)11-17/h3-5,10-12H,6-9,13-14H2,1-2H3.
What are the key properties of 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine?
1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine has a molecular weight of 329.88 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl]-4-[(3,5-dimethyl-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 171916198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).