(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol

C21H25N3O — CID 97075133

IUPAC(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
SMILESCn1nccc1[C@@H]1CCCN(C[C@H](O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H25N3O/c1-23-20(10-11-22-23)19-7-4-12-24(14-19)15-21(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19,21,25H,4,7,12,14-15H2,1H3/t19-,21+/m1/s1
InChIKeyDGIGJTYOTHPKRQ-CTNGQTDRSA-N
MW335.45 g/mol
LogP3.49
Rot. Bonds4

About (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol

(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol (PubChem CID 97075133) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
PubChem CID97075133
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol
SMILESCn1nccc1[C@@H]1CCCN(C[C@H](O)c2ccc3ccccc3c2)C1
InChIInChI=1S/C21H25N3O/c1-23-20(10-11-22-23)19-7-4-12-24(14-19)15-21(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19,21,25H,4,7,12,14-15H2,1H3/t19-,21+/m1/s1
InChIKeyDGIGJTYOTHPKRQ-CTNGQTDRSA-N
XLogP3.49
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
The IUPAC name of (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol (CID 97075133) is (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol.
What is the SMILES notation for (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
The canonical SMILES for (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol is Cn1nccc1[C@@H]1CCCN(C[C@H](O)c2ccc3ccccc3c2)C1.
What is the InChIKey of (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
The InChIKey is DGIGJTYOTHPKRQ-CTNGQTDRSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23-20(10-11-22-23)19-7-4-12-24(14-19)15-21(25)18-9-8-16-5-2-3-6-17(16)13-18/h2-3,5-6,8-11,13,19,21,25H,4,7,12,14-15H2,1H3/t19-,21+/m1/s1.
What are the key properties of (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol?
(1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol has a molecular weight of 335.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 97075133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).