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

C16H21N3O3 — CID 154817273

IUPAC(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
SMILESOCCOc1ccccc1-c1nccn1[C@H]1CCNC[C@@H]1O
InChIInChI=1S/C16H21N3O3/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/t13-,14-/m0/s1
InChIKeyBZAMAGHHHBKRMM-KBPBESRZSA-N
MW303.36 g/mol
LogP0.82
Rot. Bonds5

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

(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol (PubChem CID 154817273) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
PubChem CID154817273
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
SMILESOCCOc1ccccc1-c1nccn1[C@H]1CCNC[C@@H]1O
InChIInChI=1S/C16H21N3O3/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/t13-,14-/m0/s1
InChIKeyBZAMAGHHHBKRMM-KBPBESRZSA-N
XLogP0.82
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.82
H-Bond Donors ≤ 53
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
acetic acid;2-[2-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]phenoxy]-1-(4-methylpiperidin-1-yl)ethanone
CID 155940414
(3S,4S)-4-(2-pyridin-3-ylimidazol-1-yl)piperidin-3-ol
CID 154818382
(3S,4S)-4-[2-(3,4-difluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154821312
(3S,4S)-4-[2-[3-(trifluoromethoxy)phenyl]imidazol-1-yl]piperidin-3-ol
CID 154823350
2-[2-[1-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)imidazol-2-yl]phenoxy]ethanol
CID 154816099
(3S,4S)-4-[2-(3-chloro-4-fluorophenyl)imidazol-1-yl]piperidin-3-ol
CID 154564535
(3S,4S)-4-[2-(2,7-dimethoxynaphthalen-1-yl)imidazol-1-yl]piperidin-3-ol;dihydrochloride
CID 163334075
3-[1-[(3S,4S)-3-hydroxypiperidin-4-yl]imidazol-2-yl]-7-methyl-1H-quinolin-2-one;dihydrochloride
CID 154923451
2-[2-[1-(oxolan-3-yl)imidazol-2-yl]phenoxy]acetic acid
CID 154569273
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
2-(2-phenylphenoxy)-N-piperidin-3-ylacetamide;hydrochloride
CID 119424815

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol (CID 154817273) is (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol is 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?
The InChIKey is BZAMAGHHHBKRMM-KBPBESRZSA-N. The full InChI is InChI=1S/C16H21N3O3/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/t13-,14-/m0/s1.
What are the key properties of (3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol?
(3S,4S)-4-[2-[2-(2-hydroxyethoxy)phenyl]imidazol-1-yl]piperidin-3-ol has a molecular weight of 303.36 g/mol, XLogP of 0.82, 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 is sourced from PubChem (CID 154817273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).