3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine

C24H30N4O — CID 22707944

IUPAC3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine
SMILESCC1CN(CCCOc2ccccc2)CCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C24H30N4O/c1-19-18-28(13-7-15-29-22-10-4-3-5-11-22)14-12-24(19,2)21-9-6-8-20(16-21)23-17-25-27-26-23/h3-6,8-11,16-17,19H,7,12-15,18H2,1-2H3,(H,25,26,27)
InChIKeyHATMPMBZYIPMLJ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.54
Rot. Bonds7

About 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine

3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine (PubChem CID 22707944) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine
PubChem CID22707944
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine
SMILESCC1CN(CCCOc2ccccc2)CCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C24H30N4O/c1-19-18-28(13-7-15-29-22-10-4-3-5-11-22)14-12-24(19,2)21-9-6-8-20(16-21)23-17-25-27-26-23/h3-6,8-11,16-17,19H,7,12-15,18H2,1-2H3,(H,25,26,27)
InChIKeyHATMPMBZYIPMLJ-UHFFFAOYSA-N
XLogP4.54
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-butoxyethyl)-3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707947
3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707896
1-hexyl-3,4-dimethyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperidine
CID 22707889
2-(difluoromethyl)-6-[3,4-dimethyl-1-(3-phenoxypropyl)piperidin-4-yl]-1H-benzimidazole
CID 18433196
1-hexyl-3,4-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]piperidine
CID 22707937
3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707943
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
3-[(3R,4S)-3,4-dimethyl-1-(5-methylhexyl)piperidin-4-yl]phenol
CID 18637244
[3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] 2-aminobenzoate
CID 21017816
3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-N-methylaniline
CID 21356011

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The IUPAC name of 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine (CID 22707944) is 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The canonical SMILES for 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine is CC1CN(CCCOc2ccccc2)CCC1(C)c1cccc(-c2cn[nH]n2)c1.
What is the InChIKey of 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The InChIKey is HATMPMBZYIPMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-19-18-28(13-7-15-29-22-10-4-3-5-11-22)14-12-24(19,2)21-9-6-8-20(16-21)23-17-25-27-26-23/h3-6,8-11,16-17,19H,7,12-15,18H2,1-2H3,(H,25,26,27).
What are the key properties of 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine has a molecular weight of 390.53 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-(3-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 22707944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).