3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol

C20H26N2O — CID 10041075

IUPAC3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol
SMILESC[C@H]1CN(CCc2ccncc2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C20H26N2O/c1-16-15-22(12-8-17-6-10-21-11-7-17)13-9-20(16,2)18-4-3-5-19(23)14-18/h3-7,10-11,14,16,23H,8-9,12-13,15H2,1-2H3/t16-,20+/m0/s1
InChIKeyYLLIUYYFNJRSBX-OXJNMPFZSA-N
MW310.44 g/mol
LogP3.63
Rot. Bonds4

About 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol

3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol (PubChem CID 10041075) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol
PubChem CID10041075
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol
SMILESC[C@H]1CN(CCc2ccncc2)CC[C@@]1(C)c1cccc(O)c1
InChIInChI=1S/C20H26N2O/c1-16-15-22(12-8-17-6-10-21-11-7-17)13-9-20(16,2)18-4-3-5-19(23)14-18/h3-7,10-11,14,16,23H,8-9,12-13,15H2,1-2H3/t16-,20+/m0/s1
InChIKeyYLLIUYYFNJRSBX-OXJNMPFZSA-N
XLogP3.63
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol?
The IUPAC name of 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol (CID 10041075) is 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol.
What is the SMILES notation for 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol?
The canonical SMILES for 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol is C[C@H]1CN(CCc2ccncc2)CC[C@@]1(C)c1cccc(O)c1.
What is the InChIKey of 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol?
The InChIKey is YLLIUYYFNJRSBX-OXJNMPFZSA-N. The full InChI is InChI=1S/C20H26N2O/c1-16-15-22(12-8-17-6-10-21-11-7-17)13-9-20(16,2)18-4-3-5-19(23)14-18/h3-7,10-11,14,16,23H,8-9,12-13,15H2,1-2H3/t16-,20+/m0/s1.
What are the key properties of 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol?
3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol has a molecular weight of 310.44 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R,4R)-3,4-dimethyl-1-(2-pyridin-4-ylethyl)piperidin-4-yl]phenol is sourced from PubChem (CID 10041075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).