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

C17H21FN2OS — CID 155990745

IUPAC(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESCc1nc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cs1
InChIInChI=1S/C17H21FN2OS/c1-12-19-15(11-22-12)10-20-8-2-3-17(21)16(20)9-13-4-6-14(18)7-5-13/h4-7,11,16-17,21H,2-3,8-10H2,1H3/t16-,17-/m0/s1
InChIKeyAMNWCWHDJFYYAB-IRXDYDNUSA-N
MW320.43 g/mol
LogP3.16
Rot. Bonds4

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

(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (PubChem CID 155990745) has the molecular formula C17H21FN2OS and a molecular weight of 320.43 g/mol. Its IUPAC name is (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
PubChem CID155990745
Molecular FormulaC17H21FN2OS
Molecular Weight320.43 g/mol
Exact Mass320.14
IUPAC Name(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESCc1nc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cs1
InChIInChI=1S/C17H21FN2OS/c1-12-19-15(11-22-12)10-20-8-2-3-17(21)16(20)9-13-4-6-14(18)7-5-13/h4-7,11,16-17,21H,2-3,8-10H2,1H3/t16-,17-/m0/s1
InChIKeyAMNWCWHDJFYYAB-IRXDYDNUSA-N
XLogP3.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S,3R)-N,N-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 97392127
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
(3R,4S)-3-benzyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 155990749
2-methyl-4-[[(2R)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 125130491
(1R)-2-[(2R)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]-1-phenylethanol
CID 100859490
4-[2-[(2R)-2-(4-fluorophenyl)azetidin-1-yl]ethyl]-2-methyl-1,3-thiazole
CID 124752649
(2S)-1-[(4-fluorophenyl)methyl]-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 95971411
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-(4-fluorophenoxy)-1-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 134698115
5-[[(2S,3S)-2-[(4-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-2-methylpyrimidine
CID 175655340

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol (CID 155990745) is (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is Cc1nc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cs1.
What is the InChIKey of (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is AMNWCWHDJFYYAB-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H21FN2OS/c1-12-19-15(11-22-12)10-20-8-2-3-17(21)16(20)9-13-4-6-14(18)7-5-13/h4-7,11,16-17,21H,2-3,8-10H2,1H3/t16-,17-/m0/s1.
What are the key properties of (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
(2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 320.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(4-fluorophenyl)methyl]-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 155990745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).