1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine

C23H24Cl2N4O — CID 59216105

IUPAC1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
SMILESCn1c(C2CCN(Oc3ccc(Cl)cc3Cl)CC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C23H24Cl2N4O/c1-28-21(26-27-22(28)23(11-12-23)17-5-3-2-4-6-17)16-9-13-29(14-10-16)30-20-8-7-18(24)15-19(20)25/h2-8,15-16H,9-14H2,1H3
InChIKeyHZJPNSJXCSYMCV-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.38
Rot. Bonds5

About 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine

1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 59216105) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID59216105
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
SMILESCn1c(C2CCN(Oc3ccc(Cl)cc3Cl)CC2)nnc1C1(c2ccccc2)CC1
InChIInChI=1S/C23H24Cl2N4O/c1-28-21(26-27-22(28)23(11-12-23)17-5-3-2-4-6-17)16-9-13-29(14-10-16)30-20-8-7-18(24)15-19(20)25/h2-8,15-16H,9-14H2,1H3
InChIKeyHZJPNSJXCSYMCV-UHFFFAOYSA-N
XLogP5.38
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperazine
CID 59216078
1-[4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone;hydrochloride
CID 162332726
3,5-dichloro-2-[1-[4-methyl-5-(1-phenylcyclopentyl)-1,2,4-triazol-3-yl]piperidin-4-yl]oxypyridine
CID 59216113
4-methoxy-1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine
CID 59216026
1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]-4-propan-2-ylpiperidine
CID 59216145
methyl 1-[3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]phenyl]piperidine-4-carboxylate
CID 59216060
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]benzoic acid
CID 59216086
3-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-5-(3-phenylphenyl)-1,2,4-triazole
CID 44576749
3-(2-chloro-4-fluorophenyl)-4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazole;hydrochloride
CID 162314574
methyl 1-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine-4-carboxylate;hydrochloride
CID 162308852
N,4-dimethyl-N-phenyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 59216089
3-chloro-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]pyridine
CID 59216151

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine (CID 59216105) is 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine is Cn1c(C2CCN(Oc3ccc(Cl)cc3Cl)CC2)nnc1C1(c2ccccc2)CC1.
What is the InChIKey of 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is HZJPNSJXCSYMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-28-21(26-27-22(28)23(11-12-23)17-5-3-2-4-6-17)16-9-13-29(14-10-16)30-20-8-7-18(24)15-19(20)25/h2-8,15-16H,9-14H2,1H3.
What are the key properties of 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine?
1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 443.38 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenoxy)-4-[4-methyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 59216105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).