(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol

C23H29N3O2 — CID 50976193

IUPAC(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol
SMILESCc1nn(CCO)c(C)c1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C23H29N3O2/c1-16-22(17(2)26(24-16)11-12-27)14-25-10-9-21(23(28)15-25)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13,21,23,27-28H,9-12,14-15H2,1-2H3/t21-,23+/m0/s1
InChIKeyBVAZRFPNEFHPAQ-JTHBVZDNSA-N
MW379.50 g/mol
LogP3.00
Rot. Bonds5

About (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol

(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol (PubChem CID 50976193) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol
PubChem CID50976193
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol
SMILESCc1nn(CCO)c(C)c1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1
InChIInChI=1S/C23H29N3O2/c1-16-22(17(2)26(24-16)11-12-27)14-25-10-9-21(23(28)15-25)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13,21,23,27-28H,9-12,14-15H2,1-2H3/t21-,23+/m0/s1
InChIKeyBVAZRFPNEFHPAQ-JTHBVZDNSA-N
XLogP3.00
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol with MolForge

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Related Compounds

(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 133124608
2-[3,5-dimethyl-4-[(4-phenylazepan-1-yl)methyl]pyrazol-1-yl]ethanol
CID 77090345
2-[3,5-dimethyl-4-[(naphthalen-2-ylamino)methyl]pyrazol-1-yl]ethanol
CID 110905723
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]propan-1-one
CID 56715170
2-[4-[[(1-benzylpiperidin-4-yl)methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 131920847
(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
(3S,4S)-1-(6-ethylpyrimidin-4-yl)-4-naphthalen-2-ylpiperidin-3-ol
CID 56706134
3-hydroxy-4-naphthalen-2-ylpiperidine-1-carboxylic acid
CID 22127361
4-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95718523
1-[(3S,4S)-3-hydroxy-4-naphthalen-2-ylpiperidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 50952696
2-[3,5-dimethyl-4-[[(1-phenylpiperidin-3-yl)amino]methyl]pyrazol-1-yl]ethanol
CID 111382447
(3S,4S)-1-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4-naphthalen-2-ylpiperidin-3-ol
CID 50965295

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol?
The IUPAC name of (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol (CID 50976193) is (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol.
What is the SMILES notation for (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol?
The canonical SMILES for (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol is Cc1nn(CCO)c(C)c1CN1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1.
What is the InChIKey of (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol?
The InChIKey is BVAZRFPNEFHPAQ-JTHBVZDNSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-22(17(2)26(24-16)11-12-27)14-25-10-9-21(23(28)15-25)20-8-7-18-5-3-4-6-19(18)13-20/h3-8,13,21,23,27-28H,9-12,14-15H2,1-2H3/t21-,23+/m0/s1.
What are the key properties of (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol?
(3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol has a molecular weight of 379.50 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-4-naphthalen-2-ylpiperidin-3-ol is sourced from PubChem (CID 50976193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).