(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol

C20H23N3O — CID 133124608

IUPAC(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
SMILESCn1ccnc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1
InChIInChI=1S/C20H23N3O/c1-22-11-9-21-20(22)14-23-10-8-18(19(24)13-23)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,9,11-12,18-19,24H,8,10,13-14H2,1H3/t18-,19+/m1/s1
InChIKeyBYNQYRZOWYKYGQ-MOPGFXCFSA-N
MW321.42 g/mol
LogP2.92
Rot. Bonds3

About (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol

(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol (PubChem CID 133124608) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
PubChem CID133124608
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
SMILESCn1ccnc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1
InChIInChI=1S/C20H23N3O/c1-22-11-9-21-20(22)14-23-10-8-18(19(24)13-23)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,9,11-12,18-19,24H,8,10,13-14H2,1H3/t18-,19+/m1/s1
InChIKeyBYNQYRZOWYKYGQ-MOPGFXCFSA-N
XLogP2.92
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol (CID 133124608) is (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol is Cn1ccnc1CN1CC[C@H](c2ccc3ccccc3c2)[C@@H](O)C1.
What is the InChIKey of (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol?
The InChIKey is BYNQYRZOWYKYGQ-MOPGFXCFSA-N. The full InChI is InChI=1S/C20H23N3O/c1-22-11-9-21-20(22)14-23-10-8-18(19(24)13-23)17-7-6-15-4-2-3-5-16(15)12-17/h2-7,9,11-12,18-19,24H,8,10,13-14H2,1H3/t18-,19+/m1/s1.
What are the key properties of (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol?
(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol has a molecular weight of 321.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol is sourced from PubChem (CID 133124608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).