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

C16H23Cl2N3O3 — CID 163334678

IUPAC(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.OCCOc1ccccc1-c1nccn1[C@H]1CCNC[C@@H]1O
InChIInChI=1S/C16H21N3O3.2ClH/c20-9-10-22-15-4-2-1-3-12(15)16-18-7-8-19(16)13-5-6-17-11-14(13)21;;/h1-4,7-8,13-14,17,20-21H,5-6,9-11H2;2*1H/t13-,14-;;/m0../s1
InChIKeyOWGMLTDHYTYDGU-AXEKQOJOSA-N
MW376.28 g/mol
LogP1.66
Rot. Bonds5

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

(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride (PubChem CID 163334678) has the molecular formula C16H23Cl2N3O3 and a molecular weight of 376.28 g/mol. Its IUPAC name is (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
PubChem CID163334678
Molecular FormulaC16H23Cl2N3O3
Molecular Weight376.28 g/mol
Exact Mass375.11
IUPAC Name(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.OCCOc1ccccc1-c1nccn1[C@H]1CCNC[C@@H]1O
InChIInChI=1S/C16H21N3O3.2ClH/c20-9-10-22-15-4-2-1-3-12(15)16-18-7-8-19(16)13-5-6-17-11-14(13)21;;/h1-4,7-8,13-14,17,20-21H,5-6,9-11H2;2*1H/t13-,14-;;/m0../s1
InChIKeyOWGMLTDHYTYDGU-AXEKQOJOSA-N
XLogP1.66
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-Propanol, 3-(dimethylamino)-1-(6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069781
2-Propanol, 3-(isopropylamino)-1-(6-(1-(4-methyl-1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069765
2-Propanol, 1-(2,5-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-3-(isopropylamino)-
CID 3069779
2-Propanol, 3-(tert-butylamino)-1-(2,4-dimethyl-6-(1-(1H-imidazol-1-yl)vinyl)phenoxy)-
CID 3069780
1-[4-(1H-Imidazol-2-yl)phenoxy]-3-[(propan-2-yl)amino]propan-2-ol
CID 13621722
1-(tert-butylamino)-3-[4-(1H-imidazol-2-yl)phenoxy]propan-2-ol
CID 12521588
2-[p-(3-Cyclopropylamino-2-hydroxypropoxy)phenyl]imidazole
CID 13157369
1-(4-Imidazol-1-yl-benzylamino)-3-o-tolyloxy-propan-2-ol
CID 14739892
1-[2-[1-(2-Methylimidazol-1-yl)ethenyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 15917635
1-[2-(1-Imidazol-1-ylethenyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 15917643
1-[2-(1-Imidazol-1-ylethenyl)-6-methoxyphenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 20471573
1-[2-(1-Imidazol-1-ylethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 20471574

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride?
The IUPAC name of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride (CID 163334678) is (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride is Cl.Cl.OCCOc1ccccc1-c1nccn1[C@H]1CCNC[C@@H]1O.
What is the InChIKey of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride?
The InChIKey is OWGMLTDHYTYDGU-AXEKQOJOSA-N. The full InChI is InChI=1S/C16H21N3O3.2ClH/c20-9-10-22-15-4-2-1-3-12(15)16-18-7-8-19(16)13-5-6-17-11-14(13)21;;/h1-4,7-8,13-14,17,20-21H,5-6,9-11H2;2*1H/t13-,14-;;/m0../s1.
What are the key properties of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride?
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride has a molecular weight of 376.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 163334678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).