(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol

C18H24FN3O2 — CID 50959319

IUPAC(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
SMILESCOCCn1ccnc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1
InChIInChI=1S/C18H24FN3O2/c1-24-11-10-22-9-7-20-18(22)13-21-8-6-16(17(23)12-21)14-2-4-15(19)5-3-14/h2-5,7,9,16-17,23H,6,8,10-13H2,1H3/t16-,17+/m0/s1
InChIKeyAGYRKDPQNLVVBT-DLBZAZTESA-N
MW333.41 g/mol
LogP2.02
Rot. Bonds6

About (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol

(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol (PubChem CID 50959319) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
PubChem CID50959319
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol
SMILESCOCCn1ccnc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1
InChIInChI=1S/C18H24FN3O2/c1-24-11-10-22-9-7-20-18(22)13-21-8-6-16(17(23)12-21)14-2-4-15(19)5-3-14/h2-5,7,9,16-17,23H,6,8,10-13H2,1H3/t16-,17+/m0/s1
InChIKeyAGYRKDPQNLVVBT-DLBZAZTESA-N
XLogP2.02
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

2-[[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1-(2-methoxyethyl)imidazole
CID 99929250
1-(2-methoxyethyl)-2-[(3-phenoxypyrrolidin-1-yl)methyl]imidazole
CID 131920287
(3S,4S)-4-(1,3-benzodioxol-5-yl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 50968231
(3R,4R)-1-[(1-methylimidazol-2-yl)methyl]-4-naphthalen-2-ylpiperidin-3-ol
CID 133124608
1-benzyl-4-[1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-4-yl]piperazine
CID 131902682
(3S,4S)-4-(4-fluorophenyl)-1-[(1-pyrimidin-2-ylpyrrol-2-yl)methyl]piperidin-3-ol
CID 50968300
(3S,4R)-4-(hydroxymethyl)-1-[(1-propylimidazol-2-yl)methyl]piperidin-3-ol
CID 56899943
4-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-2-(piperidin-1-ylmethyl)-1,4-oxazepane
CID 77092818
4-cyclopropyl-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 156603463
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500
(3S,4S)-4-(4-fluorophenyl)-1-[(1-pyridin-3-ylpyrrol-2-yl)methyl]piperidin-3-ol
CID 50985534

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol (CID 50959319) is (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol is COCCn1ccnc1CN1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1.
What is the InChIKey of (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol?
The InChIKey is AGYRKDPQNLVVBT-DLBZAZTESA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-24-11-10-22-9-7-20-18(22)13-21-8-6-16(17(23)12-21)14-2-4-15(19)5-3-14/h2-5,7,9,16-17,23H,6,8,10-13H2,1H3/t16-,17+/m0/s1.
What are the key properties of (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol?
(3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol has a molecular weight of 333.41 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 (3S,4S)-4-(4-fluorophenyl)-1-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 50959319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).