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

C15H20N4 — CID 22707943

IUPAC3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
SMILESCC1CNCCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C15H20N4/c1-11-9-16-7-6-15(11,2)13-5-3-4-12(8-13)14-10-17-19-18-14/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,17,18,19)
InChIKeySTAVAWZMKFWFID-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.36
Rot. Bonds2

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

3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine (PubChem CID 22707943) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine.

Molecular Properties

Compound Name3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
PubChem CID22707943
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine
SMILESCC1CNCCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C15H20N4/c1-11-9-16-7-6-15(11,2)13-5-3-4-12(8-13)14-10-17-19-18-14/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,17,18,19)
InChIKeySTAVAWZMKFWFID-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R,4R)-3,4-dimethylpiperidin-4-yl]phenol
CID 11052767
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
3-(3,4-dimethylpiperidin-4-yl)benzoic acid
CID 66952349
3-[(3R,4S)-3,4-dimethylpiperidin-4-yl]phenol;phenol
CID 67900798
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
3,4-dimethyl-1-[3-(oxolan-3-yl)propyl]-4-[3-(2H-triazol-4-yl)phenyl]piperidine
CID 22707896
N-[3-(3,4-dimethylpiperidin-4-yl)phenyl]-1-phenylmethanesulfonamide
CID 70182403
3,6-dimethyl-3-(3-phenylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 68658956
1-hexyl-3,4-dimethyl-4-[3-(1H-pyrazol-4-yl)phenyl]piperidine
CID 22707889
1-methyl-4-[3-(2H-triazol-4-yl)phenyl]piperazine
CID 175938497
5-chloro-3-[(4S)-3,4-dimethylpiperidin-4-yl]-1H-pyridin-2-one;ethane
CID 171560544

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The IUPAC name of 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine (CID 22707943) is 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine.
What is the SMILES notation for 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The canonical SMILES for 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine is CC1CNCCC1(C)c1cccc(-c2cn[nH]n2)c1.
What is the InChIKey of 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
The InChIKey is STAVAWZMKFWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-9-16-7-6-15(11,2)13-5-3-4-12(8-13)14-10-17-19-18-14/h3-5,8,10-11,16H,6-7,9H2,1-2H3,(H,17,18,19).
What are the key properties of 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine?
3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine has a molecular weight of 256.35 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidine is sourced from PubChem (CID 22707943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).