(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone

C20H27FN4O2 — CID 97284668

IUPAC(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
SMILESCN(C)CCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-23(2)13-14-24-12-9-22-19(24)16-7-10-25(11-8-16)20(27)18(26)15-3-5-17(21)6-4-15/h3-6,9,12,16,18,26H,7-8,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyBVXZENGQHGZNDO-SFHVURJKSA-N
MW374.46 g/mol
LogP2.02
Rot. Bonds6

About (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone

(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone (PubChem CID 97284668) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone.

Molecular Properties

Compound Name(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
PubChem CID97284668
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
SMILESCN(C)CCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C20H27FN4O2/c1-23(2)13-14-24-12-9-22-19(24)16-7-10-25(11-8-16)20(27)18(26)15-3-5-17(21)6-4-15/h3-6,9,12,16,18,26H,7-8,10-11,13-14H2,1-2H3/t18-/m0/s1
InChIKeyBVXZENGQHGZNDO-SFHVURJKSA-N
XLogP2.02
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone with MolForge

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Related Compounds

(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97122655
(2R)-2-(4-fluorophenyl)-2-hydroxy-1-[4-(1-propan-2-ylimidazol-2-yl)piperidin-1-yl]ethanone
CID 97140073
(2S)-2-amino-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-(1H-imidazol-5-yl)propan-1-one
CID 72869616
(2R)-1-[4-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-phenylpropan-1-one
CID 97206870
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 72864352
1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 97268736
[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-[(2S)-morpholin-2-yl]methanone
CID 97123595
(2-chloro-4-fluorophenyl)-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]methanone
CID 97207431
4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 72867590
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 72921411
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
CID 72857287
(2R)-1-[4-(2,4-dihydroxyphenyl)piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone
CID 46215888

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
The IUPAC name of (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone (CID 97284668) is (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone.
What is the SMILES notation for (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
The canonical SMILES for (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone is CN(C)CCn1ccnc1C1CCN(C(=O)[C@@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
The InChIKey is BVXZENGQHGZNDO-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-23(2)13-14-24-12-9-22-19(24)16-7-10-25(11-8-16)20(27)18(26)15-3-5-17(21)6-4-15/h3-6,9,12,16,18,26H,7-8,10-11,13-14H2,1-2H3/t18-/m0/s1.
What are the key properties of (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone?
(2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone has a molecular weight of 374.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)-2-hydroxyethanone is sourced from PubChem (CID 97284668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).