3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol

C20H30N4O — CID 56706592

IUPAC3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol
SMILESCc1cc(C)n(CC(C)NC2CCN(Cc3cccc(O)c3)CC2)n1
InChIInChI=1S/C20H30N4O/c1-15-11-17(3)24(22-15)13-16(2)21-19-7-9-23(10-8-19)14-18-5-4-6-20(25)12-18/h4-6,11-12,16,19,21,25H,7-10,13-14H2,1-3H3
InChIKeyIEURXIJIITZCEL-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.85
Rot. Bonds6

About 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol

3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol (PubChem CID 56706592) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol
PubChem CID56706592
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol
SMILESCc1cc(C)n(CC(C)NC2CCN(Cc3cccc(O)c3)CC2)n1
InChIInChI=1S/C20H30N4O/c1-15-11-17(3)24(22-15)13-16(2)21-19-7-9-23(10-8-19)14-18-5-4-6-20(25)12-18/h4-6,11-12,16,19,21,25H,7-10,13-14H2,1-3H3
InChIKeyIEURXIJIITZCEL-UHFFFAOYSA-N
XLogP2.85
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol (CID 56706592) is 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol is Cc1cc(C)n(CC(C)NC2CCN(Cc3cccc(O)c3)CC2)n1.
What is the InChIKey of 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol?
The InChIKey is IEURXIJIITZCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-15-11-17(3)24(22-15)13-16(2)21-19-7-9-23(10-8-19)14-18-5-4-6-20(25)12-18/h4-6,11-12,16,19,21,25H,7-10,13-14H2,1-3H3.
What are the key properties of 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol?
3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol has a molecular weight of 342.49 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 56706592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).