(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride

C12H19ClN2O2 — CID 178103010

IUPAC(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
SMILESCOc1ccncc1C(O)[C@H]1C[C@@H](C)CN1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8-5-10(14-6-8)12(15)9-7-13-4-3-11(9)16-2;/h3-4,7-8,10,12,14-15H,5-6H2,1-2H3;1H/t8-,10-,12?;/m1./s1
InChIKeyHQHYQWSTBQJHID-PETHRGNXSA-N
MW258.75 g/mol
LogP1.54
Rot. Bonds3

About (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride

(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride (PubChem CID 178103010) has the molecular formula C12H19ClN2O2 and a molecular weight of 258.75 g/mol. Its IUPAC name is (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
PubChem CID178103010
Molecular FormulaC12H19ClN2O2
Molecular Weight258.75 g/mol
Exact Mass258.11
IUPAC Name(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride
SMILESCOc1ccncc1C(O)[C@H]1C[C@@H](C)CN1.Cl
InChIInChI=1S/C12H18N2O2.ClH/c1-8-5-10(14-6-8)12(15)9-7-13-4-3-11(9)16-2;/h3-4,7-8,10,12,14-15H,5-6H2,1-2H3;1H/t8-,10-,12?;/m1./s1
InChIKeyHQHYQWSTBQJHID-PETHRGNXSA-N
XLogP1.54
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R,5R)-2-benzhydryl-5-[(6-methoxy-3-pyridinyl)methylamino]oxan-4-ol
CID 117642497
(1S,2S)-2-(4-methoxy-3-methylphenyl)-3-(methylamino)-1-pyridin-3-ylpropan-1-ol
CID 118689232
Pyridine, 4-(2,2-dimethyl-5-(4-methoxyphenyl)-3-pyrrolidinyl)-, dihydrochloride, cis-(+-)-
CID 156303
2-Methoxy-5-(pyrrolidin-2-yl)pyridine
CID 4279651
(1R,2S,3R,4R)-3-[(4-methoxyphenyl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
CID 75536110
(R)-pyridin-4-yl-[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methanol
CID 72199880
4-Methoxy-2-(pyrrolidin-3-yl)pyridine dihydrochloride
CID 145912920
(1R,2S,3R,4R)-4-(4-methoxyphenyl)-3-[(6-methoxy-3-pyridinyl)methylamino]cyclopentane-1,2-diol
CID 75536108
(1R,2S,3R,4R)-3-[(3-methoxyphenyl)methylamino]-4-pyridin-3-ylcyclopentane-1,2-diol
CID 75536113
(2-Methoxypyridin-3-yl)(phenyl)methanol
CID 14025633
(4-Methoxy-3-pyridinyl)-phenylmethanol
CID 14025638
(S)-2-Amino-2-(6-methoxypyridin-3-yl)ethanol
CID 55278315

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
The IUPAC name of (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride (CID 178103010) is (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride.
What is the SMILES notation for (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
The canonical SMILES for (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride is COc1ccncc1C(O)[C@H]1C[C@@H](C)CN1.Cl.
What is the InChIKey of (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
The InChIKey is HQHYQWSTBQJHID-PETHRGNXSA-N. The full InChI is InChI=1S/C12H18N2O2.ClH/c1-8-5-10(14-6-8)12(15)9-7-13-4-3-11(9)16-2;/h3-4,7-8,10,12,14-15H,5-6H2,1-2H3;1H/t8-,10-,12?;/m1./s1.
What are the key properties of (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride?
(4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-pyridinyl)-[(2R,4R)-4-methylpyrrolidin-2-yl]methanol;hydrochloride is sourced from PubChem (CID 178103010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).