3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol

C24H30N4O — CID 22707877

IUPAC3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESCC1CN(CCC(O)c2ccccc2)CCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C24H30N4O/c1-18-17-28(13-11-23(29)19-7-4-3-5-8-19)14-12-24(18,2)21-10-6-9-20(15-21)22-16-25-27-26-22/h3-10,15-16,18,23,29H,11-14,17H2,1-2H3,(H,25,26,27)
InChIKeyGNVLNOZEJZFQCZ-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.19
Rot. Bonds6

About 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol

3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 22707877) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol
PubChem CID22707877
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC Name3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol
SMILESCC1CN(CCC(O)c2ccccc2)CCC1(C)c1cccc(-c2cn[nH]n2)c1
InChIInChI=1S/C24H30N4O/c1-18-17-28(13-11-23(29)19-7-4-3-5-8-19)14-12-24(18,2)21-10-6-9-20(15-21)22-16-25-27-26-22/h3-10,15-16,18,23,29H,11-14,17H2,1-2H3,(H,25,26,27)
InChIKeyGNVLNOZEJZFQCZ-UHFFFAOYSA-N
XLogP4.19
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol (CID 22707877) is 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol is CC1CN(CCC(O)c2ccccc2)CCC1(C)c1cccc(-c2cn[nH]n2)c1.
What is the InChIKey of 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is GNVLNOZEJZFQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-18-17-28(13-11-23(29)19-7-4-3-5-8-19)14-12-24(18,2)21-10-6-9-20(15-21)22-16-25-27-26-22/h3-10,15-16,18,23,29H,11-14,17H2,1-2H3,(H,25,26,27).
What are the key properties of 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol?
3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 390.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,4-dimethyl-4-[3-(2H-triazol-4-yl)phenyl]piperidin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 22707877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).