[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol

C17H20N2O3 — CID 175337447

IUPAC[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CC[C@H](Oc3ccccn3)C2)c(CO)c1
InChIInChI=1S/C17H20N2O3/c20-11-13-4-5-16(14(9-13)12-21)19-8-6-15(10-19)22-17-3-1-2-7-18-17/h1-5,7,9,15,20-21H,6,8,10-12H2/t15-/m0/s1
InChIKeyCBJJUAAJWFCXGN-HNNXBMFYSA-N
MW300.36 g/mol
LogP1.72
Rot. Bonds5

About [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol

[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol (PubChem CID 175337447) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol
PubChem CID175337447
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol
SMILESOCc1ccc(N2CC[C@H](Oc3ccccn3)C2)c(CO)c1
InChIInChI=1S/C17H20N2O3/c20-11-13-4-5-16(14(9-13)12-21)19-8-6-15(10-19)22-17-3-1-2-7-18-17/h1-5,7,9,15,20-21H,6,8,10-12H2/t15-/m0/s1
InChIKeyCBJJUAAJWFCXGN-HNNXBMFYSA-N
XLogP1.72
TPSA65.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

CID 167669175
CID 167669175
5-bromo-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzonitrile
CID 156814785
[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol
CID 167577678
5-pyridin-4-yl-2-[(3R)-3-pyridin-2-yloxypyrrolidin-1-yl]benzamide
CID 166004473
[5-(2-ethoxyphenyl)-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 167574448
[3-[3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814945
[3-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]-6-pyridin-2-yl-2-pyridinyl]methanol
CID 156814534
6-[1-[2-(hydroxymethyl)-4-phenylphenyl]pyrrolidin-3-yl]oxy-N-methylpyridine-3-carboxamide
CID 166683269
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313388
[5-(3-chlorophenoxy)-2-[3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313502
methyl 4-[(3S)-3-[(3-chloro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)benzoate
CID 156814660
(2-ethylphenyl)-[4-[3-[(3-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-3-(hydroxymethyl)phenyl]methanol
CID 156814816

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol?
The IUPAC name of [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol (CID 175337447) is [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol is OCc1ccc(N2CC[C@H](Oc3ccccn3)C2)c(CO)c1.
What is the InChIKey of [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol?
The InChIKey is CBJJUAAJWFCXGN-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-11-13-4-5-16(14(9-13)12-21)19-8-6-15(10-19)22-17-3-1-2-7-18-17/h1-5,7,9,15,20-21H,6,8,10-12H2/t15-/m0/s1.
What are the key properties of [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol?
[3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol has a molecular weight of 300.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]phenyl]methanol is sourced from PubChem (CID 175337447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).