1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine

C16H18ClN3O — CID 171335865

IUPAC1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
SMILESCOc1cccnc1N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H18ClN3O/c1-21-15-7-4-8-18-16(15)20-11-9-19(10-12-20)14-6-3-2-5-13(14)17/h2-8H,9-12H2,1H3
InChIKeyPCBPLIGOEWBGNV-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.07
Rot. Bonds3

About 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine

1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine (PubChem CID 171335865) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
PubChem CID171335865
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
SMILESCOc1cccnc1N1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C16H18ClN3O/c1-21-15-7-4-8-18-16(15)20-11-9-19(10-12-20)14-6-3-2-5-13(14)17/h2-8H,9-12H2,1H3
InChIKeyPCBPLIGOEWBGNV-UHFFFAOYSA-N
XLogP3.07
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-chlorophenyl)piperazin-1-yl]-4-methoxy-1,2-benzoxazole
CID 151096655
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
4-(3-chloro-2-pyridinyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 47075750
N-[[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]methyl]methanesulfonamide
CID 26335696
tert-butyl 4-(3-methoxy-2-pyridinyl)piperazine-1-carboxylate
CID 70571171
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrazolo[1,5-a]pyrazine
CID 133487895
3-methoxy-2-[4-(trifluoromethyl)piperidin-1-yl]pyridine
CID 163345314
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 46265168
4-[4-(2-methoxyphenyl)piperazin-1-yl]-2-methylpyrimidine
CID 155823172

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine?
The IUPAC name of 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine (CID 171335865) is 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine?
The canonical SMILES for 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine is COc1cccnc1N1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine?
The InChIKey is PCBPLIGOEWBGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-21-15-7-4-8-18-16(15)20-11-9-19(10-12-20)14-6-3-2-5-13(14)17/h2-8H,9-12H2,1H3.
What are the key properties of 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine?
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine has a molecular weight of 303.79 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine is sourced from PubChem (CID 171335865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).