(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol

C18H24FN3O2 — CID 97092115

IUPAC(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
SMILESCn1ccnc1[C@H](O)C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c1-21-11-8-20-18(21)17(24)14-6-9-22(10-7-14)12-16(23)13-2-4-15(19)5-3-13/h2-5,8,11,14,16-17,23-24H,6-7,9-10,12H2,1H3/t16-,17-/m1/s1
InChIKeyJIVUHKNUVDOAKT-IAGOWNOFSA-N
MW333.41 g/mol
LogP2.04
Rot. Bonds5

About (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol

(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol (PubChem CID 97092115) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
PubChem CID97092115
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
SMILESCn1ccnc1[C@H](O)C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O2/c1-21-11-8-20-18(21)17(24)14-6-9-22(10-7-14)12-16(23)13-2-4-15(19)5-3-13/h2-5,8,11,14,16-17,23-24H,6-7,9-10,12H2,1H3/t16-,17-/m1/s1
InChIKeyJIVUHKNUVDOAKT-IAGOWNOFSA-N
XLogP2.04
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol with MolForge

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Related Compounds

1-(4-fluorophenyl)-2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol
CID 75434389
[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802
(R)-[1-[[3-(3-fluorophenyl)phenyl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 28641905
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
(1-methylimidazol-2-yl)-[1-[2-(3-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methanol
CID 45228146
(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methanol
CID 65393926
(R)-(1-methylimidazol-2-yl)-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methanol
CID 99639116
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
N-ethyl-3-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propanamide
CID 97092059
(2S)-2-[1-[(2R)-2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489869
(S)-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 97159643

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol?
The IUPAC name of (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol (CID 97092115) is (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol is Cn1ccnc1[C@H](O)C1CCN(C[C@@H](O)c2ccc(F)cc2)CC1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol?
The InChIKey is JIVUHKNUVDOAKT-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-21-11-8-20-18(21)17(24)14-6-9-22(10-7-14)12-16(23)13-2-4-15(19)5-3-13/h2-5,8,11,14,16-17,23-24H,6-7,9-10,12H2,1H3/t16-,17-/m1/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol?
(1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol has a molecular weight of 333.41 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-2-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 97092115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).