(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol

C20H28FN3O2 — CID 25385611

IUPAC(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
SMILESCc1c(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H28FN3O2/c1-13-16-10-14(21)2-3-17(16)22-18(13)11-23-7-6-19(20(26)12-23)24-8-4-15(25)5-9-24/h2-3,10,15,19-20,22,25-26H,4-9,11-12H2,1H3/t19-,20-/m1/s1
InChIKeyPFUGDOQIUUGYAM-WOJBJXKFSA-N
MW361.46 g/mol
LogP2.01
Rot. Bonds3

About (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol

(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol (PubChem CID 25385611) has the molecular formula C20H28FN3O2 and a molecular weight of 361.46 g/mol. Its IUPAC name is (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
PubChem CID25385611
Molecular FormulaC20H28FN3O2
Molecular Weight361.46 g/mol
Exact Mass361.22
IUPAC Name(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol
SMILESCc1c(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]c2ccc(F)cc12
InChIInChI=1S/C20H28FN3O2/c1-13-16-10-14(21)2-3-17(16)22-18(13)11-23-7-6-19(20(26)12-23)24-8-4-15(25)5-9-24/h2-3,10,15,19-20,22,25-26H,4-9,11-12H2,1H3/t19-,20-/m1/s1
InChIKeyPFUGDOQIUUGYAM-WOJBJXKFSA-N
XLogP2.01
TPSA62.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 45244684
5-fluoro-2-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]-3-methyl-1H-indole
CID 77092135
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-fluorophenyl)piperidin-4-ol
CID 46967079
N-[(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133048
(3R,4R)-1-[(7-chloro-3-methyl-1H-indol-2-yl)methyl]-4-morpholin-4-ylpiperidin-3-ol
CID 29256663
5-fluoro-3-methyl-2-propyl-1H-indole
CID 72942274
(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-[[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-ol
CID 31015770
1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(2-methoxyphenyl)piperidin-4-ol
CID 16673537
(3R)-1-benzyl-4-(3,6-difluorocarbazol-9-yl)piperidin-3-ol
CID 118595150
1-[1-[(3,5-dimethyl-1H-indol-2-yl)methyl]piperidin-4-yl]ethane-1,2-diol
CID 137335134
(1R,5R)-6-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,N-dimethyl-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72903638
(2S)-4-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-N,2-dimethylmorpholine-2-carboxamide
CID 95839618

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol (CID 25385611) is (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol is Cc1c(CN2CC[C@@H](N3CCC(O)CC3)[C@H](O)C2)[nH]c2ccc(F)cc12.
What is the InChIKey of (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
The InChIKey is PFUGDOQIUUGYAM-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H28FN3O2/c1-13-16-10-14(21)2-3-17(16)22-18(13)11-23-7-6-19(20(26)12-23)24-8-4-15(25)5-9-24/h2-3,10,15,19-20,22,25-26H,4-9,11-12H2,1H3/t19-,20-/m1/s1.
What are the key properties of (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol?
(3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol has a molecular weight of 361.46 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(5-fluoro-3-methyl-1H-indol-2-yl)methyl]-4-(4-hydroxypiperidin-1-yl)piperidin-3-ol is sourced from PubChem (CID 25385611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).