(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol

C17H20N2O2 — CID 99926029

IUPAC(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cn1
InChIInChI=1S/C17H20N2O2/c1-21-16-8-7-14(11-18-16)12-19-10-9-17(20,13-19)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyYQNMKWMDAUHPED-QGZVFWFLSA-N
MW284.36 g/mol
LogP2.18
Rot. Bonds4

About (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol

(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol (PubChem CID 99926029) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
PubChem CID99926029
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol
SMILESCOc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cn1
InChIInChI=1S/C17H20N2O2/c1-21-16-8-7-14(11-18-16)12-19-10-9-17(20,13-19)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12-13H2,1H3/t17-/m1/s1
InChIKeyYQNMKWMDAUHPED-QGZVFWFLSA-N
XLogP2.18
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 16674082
(3R)-1-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 51595829
1-[(6-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759844
(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
(3S)-1-[2-(4-methoxyphenoxy)ethyl]-3-phenylpyrrolidin-3-ol
CID 124843631
(3S)-1-benzyl-3-(2-methoxyphenyl)pyrrolidin-3-ol
CID 129372424
1-[(3-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 74241252
(3R)-1-[(1-benzylimidazol-2-yl)methyl]-3-phenylpyrrolidin-3-ol
CID 124753933
1-(benzenesulfonyl)-4-[(6-methoxy-3-pyridinyl)methyl]piperazine
CID 53185153
2-[(6-methoxy-3-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonane;bis(2,2,2-trifluoroacetic acid)
CID 172739195
2-[(6-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849320
(3R)-1-[(2,5-dimethoxy-4-methylsulfanylphenyl)methyl]-3-phenylpyrrolidin-3-ol
CID 99962045

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol (CID 99926029) is (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol is COc1ccc(CN2CC[C@](O)(c3ccccc3)C2)cn1.
What is the InChIKey of (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol?
The InChIKey is YQNMKWMDAUHPED-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-21-16-8-7-14(11-18-16)12-19-10-9-17(20,13-19)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12-13H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol?
(3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol has a molecular weight of 284.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6-methoxy-3-pyridinyl)methyl]-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 99926029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).