(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride

C20H25Cl2N3O3 — CID 163334075

IUPAC(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
SMILESCOc1ccc2ccc(OC)c(-c3nccn3[C@H]3CCNC[C@@H]3O)c2c1.Cl.Cl
InChIInChI=1S/C20H23N3O3.2ClH/c1-25-14-5-3-13-4-6-18(26-2)19(15(13)11-14)20-22-9-10-23(20)16-7-8-21-12-17(16)24;;/h3-6,9-11,16-17,21,24H,7-8,12H2,1-2H3;2*1H/t16-,17-;;/m0../s1
InChIKeyYLIWIYSJIJQCOQ-SZKOKKDDSA-N
MW426.34 g/mol
LogP3.46
Rot. Bonds4

About (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride

(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride (PubChem CID 163334075) has the molecular formula C20H25Cl2N3O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
PubChem CID163334075
Molecular FormulaC20H25Cl2N3O3
Molecular Weight426.34 g/mol
Exact Mass425.13
IUPAC Name(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
SMILESCOc1ccc2ccc(OC)c(-c3nccn3[C@H]3CCNC[C@@H]3O)c2c1.Cl.Cl
InChIInChI=1S/C20H23N3O3.2ClH/c1-25-14-5-3-13-4-6-18(26-2)19(15(13)11-14)20-22-9-10-23(20)16-7-8-21-12-17(16)24;;/h3-6,9-11,16-17,21,24H,7-8,12H2,1-2H3;2*1H/t16-,17-;;/m0../s1
InChIKeyYLIWIYSJIJQCOQ-SZKOKKDDSA-N
XLogP3.46
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334678
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
CID 154818382
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154564535
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
3-[(7-methoxynaphthalen-1-yl)methyl]pyrrolidine
CID 19096229
6-methoxy-1-(2-pyrrolidin-3-ylethoxy)isoquinoline
CID 106542215
7-methoxy-N-propyl-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540587
formic acid;trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 163338029
7-methoxy-2-methyl-N-piperidin-3-ylquinoline-3-carboxamide;hydrochloride
CID 119424266
2-(2,5-dimethoxyphenyl)-1-methylimidazole
CID 82079235

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride?
The IUPAC name of (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride (CID 163334075) is (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride is COc1ccc2ccc(OC)c(-c3nccn3[C@H]3CCNC[C@@H]3O)c2c1.Cl.Cl.
What is the InChIKey of (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride?
The InChIKey is YLIWIYSJIJQCOQ-SZKOKKDDSA-N. The full InChI is InChI=1S/C20H23N3O3.2ClH/c1-25-14-5-3-13-4-6-18(26-2)19(15(13)11-14)20-22-9-10-23(20)16-7-8-21-12-17(16)24;;/h3-6,9-11,16-17,21,24H,7-8,12H2,1-2H3;2*1H/t16-,17-;;/m0../s1.
What are the key properties of (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride?
(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride has a molecular weight of 426.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 163334075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).