4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine

C17H20N2O2 — CID 97236462

IUPAC4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
SMILESCOc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1
InChIInChI=1S/C17H20N2O2/c1-20-16-4-2-3-14(11-16)12-19-10-7-17(13-19)21-15-5-8-18-9-6-15/h2-6,8-9,11,17H,7,10,12-13H2,1H3/t17-/m0/s1
InChIKeyCGMWEOFMOUMJDL-KRWDZBQOSA-N
MW284.36 g/mol
LogP2.74
Rot. Bonds5

About 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine

4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine (PubChem CID 97236462) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine.

Molecular Properties

Compound Name4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
PubChem CID97236462
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine
SMILESCOc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1
InChIInChI=1S/C17H20N2O2/c1-20-16-4-2-3-14(11-16)12-19-10-7-17(13-19)21-15-5-8-18-9-6-15/h2-6,8-9,11,17H,7,10,12-13H2,1H3/t17-/m0/s1
InChIKeyCGMWEOFMOUMJDL-KRWDZBQOSA-N
XLogP2.74
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
CID 163353082
1-[(3-cyclopentyloxyphenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 112844466
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
4-[1-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrrolidin-3-yl]oxypyridine
CID 75439533
3-(2-bromoethyl)-1-[(3-methoxyphenyl)methyl]pyrrolidine
CID 114800301
2-[4-[[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]methyl]phenoxy]pyrazine
CID 97160514
1-[(3-methoxyphenyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918664
4-[1-[(3-methoxyphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 122138322
3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732597

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine?
The IUPAC name of 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine (CID 97236462) is 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine.
What is the SMILES notation for 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine?
The canonical SMILES for 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine is COc1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1.
What is the InChIKey of 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine?
The InChIKey is CGMWEOFMOUMJDL-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-20-16-4-2-3-14(11-16)12-19-10-7-17(13-19)21-15-5-8-18-9-6-15/h2-6,8-9,11,17H,7,10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine?
4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine has a molecular weight of 284.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]oxypyridine is sourced from PubChem (CID 97236462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).