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

C22H32N4O — CID 22707896

IUPAC3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine
SMILESCC1CN(CCCC2CCOC2)CCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C22H32N4O/c1-17-15-26(10-4-5-18-8-12-27-16-18)11-9-22(17,2)20-7-3-6-19(13-20)21-14-23-25-24-21/h3,6-7,13-14,17-18H,4-5,8-12,15-16H2,1-2H3,(H,23,24,25)
InChIKeyGWPXTKWWAQLRDF-UHFFFAOYSA-N
MW368.53 g/mol
LogP3.89
Rot. Bonds6

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

3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine (PubChem CID 22707896) has the molecular formula C22H32N4O and a molecular weight of 368.53 g/mol. Its IUPAC name is 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine
PubChem CID22707896
Molecular FormulaC22H32N4O
Molecular Weight368.53 g/mol
Exact Mass368.26
IUPAC Name3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine
SMILESCC1CN(CCCC2CCOC2)CCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C22H32N4O/c1-17-15-26(10-4-5-18-8-12-27-16-18)11-9-22(17,2)20-7-3-6-19(13-20)21-14-23-25-24-21/h3,6-7,13-14,17-18H,4-5,8-12,15-16H2,1-2H3,(H,23,24,25)
InChIKeyGWPXTKWWAQLRDF-UHFFFAOYSA-N
XLogP3.89
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-phenoxypropyl)-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707944
3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol
CID 22707877
1-hexyl-3,4-dimethyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperidine
CID 22707889
3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707943
1-hexyl-3,4-dimethyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]piperidine
CID 22707937
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-N-methylaniline
CID 21356011
3-[(3R,4R)-3,4-dimethyl-1-(4-phenylbutyl)piperidin-4-yl]phenol
CID 10382459
3-[(3R,4S)-3,4-dimethyl-1-(3-thiophen-2-ylpropyl)piperidin-4-yl]phenol;hydrochloride
CID 18637219
N-[3-[(3R,4S)-1-[2-(1,3-dioxan-2-yl)ethyl]-3,4-dimethylpiperidin-4-yl]phenyl]methanesulfonamide
CID 21355976
3-[1-(cyclopentylmethyl)-3,4-dimethylpiperidin-4-yl]phenol
CID 15670123

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The IUPAC name of 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine (CID 22707896) is 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The canonical SMILES for 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine is CC1CN(CCCC2CCOC2)CCC1(C)c1cccc(-c2cn[nH]n2)c1.
What is the InChIKey of 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The InChIKey is GWPXTKWWAQLRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O/c1-17-15-26(10-4-5-18-8-12-27-16-18)11-9-22(17,2)20-7-3-6-19(13-20)21-14-23-25-24-21/h3,6-7,13-14,17-18H,4-5,8-12,15-16H2,1-2H3,(H,23,24,25).
What are the key properties of 3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine has a molecular weight of 368.53 g/mol, XLogP of 3.89, 6 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-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 22707896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).