1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol

C19H27N3O2 — CID 137341387

IUPAC1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESCc1cc(C)n(-c2cccc(CN3CCC(C(O)CO)CC3)c2)n1
InChIInChI=1S/C19H27N3O2/c1-14-10-15(2)22(20-14)18-5-3-4-16(11-18)12-21-8-6-17(7-9-21)19(24)13-23/h3-5,10-11,17,19,23-24H,6-9,12-13H2,1-2H3
InChIKeyWVOLORZDOVVWJC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.05
Rot. Bonds5

About 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol

1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol (PubChem CID 137341387) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
PubChem CID137341387
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol
SMILESCc1cc(C)n(-c2cccc(CN3CCC(C(O)CO)CC3)c2)n1
InChIInChI=1S/C19H27N3O2/c1-14-10-15(2)22(20-14)18-5-3-4-16(11-18)12-21-8-6-17(7-9-21)19(24)13-23/h3-5,10-11,17,19,23-24H,6-9,12-13H2,1-2H3
InChIKeyWVOLORZDOVVWJC-UHFFFAOYSA-N
XLogP2.05
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The IUPAC name of 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol (CID 137341387) is 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol.
What is the SMILES notation for 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The canonical SMILES for 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol is Cc1cc(C)n(-c2cccc(CN3CCC(C(O)CO)CC3)c2)n1.
What is the InChIKey of 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
The InChIKey is WVOLORZDOVVWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14-10-15(2)22(20-14)18-5-3-4-16(11-18)12-21-8-6-17(7-9-21)19(24)13-23/h3-5,10-11,17,19,23-24H,6-9,12-13H2,1-2H3.
What are the key properties of 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol?
1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol has a molecular weight of 329.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-4-yl]ethane-1,2-diol is sourced from PubChem (CID 137341387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).