1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine

C24H28ClN5O — CID 100765562

IUPAC1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCc1nnc(CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)n1C1CC1
InChIInChI=1S/C24H28ClN5O/c1-18-26-27-24(30(18)20-9-10-20)16-28-11-13-29(14-12-28)21-6-4-7-22(15-21)31-17-19-5-2-3-8-23(19)25/h2-8,15,20H,9-14,16-17H2,1H3
InChIKeyQCRZJSONWIGNDZ-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.48
Rot. Bonds7

About 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine

1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine (PubChem CID 100765562) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine
PubChem CID100765562
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine
SMILESCc1nnc(CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)n1C1CC1
InChIInChI=1S/C24H28ClN5O/c1-18-26-27-24(30(18)20-9-10-20)16-28-11-13-29(14-12-28)21-6-4-7-22(15-21)31-17-19-5-2-3-8-23(19)25/h2-8,15,20H,9-14,16-17H2,1H3
InChIKeyQCRZJSONWIGNDZ-UHFFFAOYSA-N
XLogP4.48
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine with MolForge

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-phenylpiperazine
CID 765042
3-[(2-chlorophenyl)methoxy]aniline
CID 23010255
2-[(2S)-1-[3-[(2-chlorophenyl)methoxy]phenyl]pyrrolidin-2-yl]acetonitrile
CID 67085980
1-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)methyl]-4-(3-nitrophenyl)piperazine
CID 75453963
3-[4-cyclopropyl-5-[[4-(3,4-dimethylphenyl)piperazin-1-yl]methyl]-1,2,4-triazol-3-yl]cyclobutan-1-amine
CID 91770567
[1-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-yl]methanol
CID 110912855
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
1-[6-[3-[(2-chlorophenyl)methoxy]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidin-5-yl]ethanone
CID 110529083
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole
CID 8592317
2-chloro-5-[(2-chlorophenyl)methoxy]-1,3-dimethylbenzene
CID 19168424
1,4-bis[(2-chlorophenyl)methoxy]benzene
CID 18515510

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The IUPAC name of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine (CID 100765562) is 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine.
What is the SMILES notation for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The canonical SMILES for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine is Cc1nnc(CN2CCN(c3cccc(OCc4ccccc4Cl)c3)CC2)n1C1CC1.
What is the InChIKey of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
The InChIKey is QCRZJSONWIGNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c1-18-26-27-24(30(18)20-9-10-20)16-28-11-13-29(14-12-28)21-6-4-7-22(15-21)31-17-19-5-2-3-8-23(19)25/h2-8,15,20H,9-14,16-17H2,1H3.
What are the key properties of 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine?
1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine has a molecular weight of 437.98 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-chlorophenyl)methoxy]phenyl]-4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazine is sourced from PubChem (CID 100765562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).