(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol

C19H23FN2O2 — CID 110146551

IUPAC(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol
SMILESCc1cnccc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1
InChIInChI=1S/C19H23FN2O2/c1-14-11-21-8-6-15(14)12-22-9-7-18(19(2,23)13-22)24-17-5-3-4-16(20)10-17/h3-6,8,10-11,18,23H,7,9,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyJKMVBZBMNGNYFF-OALUTQOASA-N
MW330.40 g/mol
LogP2.93
Rot. Bonds4

About (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol

(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol (PubChem CID 110146551) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol
PubChem CID110146551
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol
SMILESCc1cnccc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1
InChIInChI=1S/C19H23FN2O2/c1-14-11-21-8-6-15(14)12-22-9-7-18(19(2,23)13-22)24-17-5-3-4-16(20)10-17/h3-6,8,10-11,18,23H,7,9,12-13H2,1-2H3/t18-,19-/m0/s1
InChIKeyJKMVBZBMNGNYFF-OALUTQOASA-N
XLogP2.93
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol with MolForge

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Related Compounds

(R)-4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777738
[4-(2-Phenoxyethyl)-1-(pyridin-4-ylmethyl)piperidin-4-yl]methanol
CID 23723241
4-(3-(4-((3-Fluorophenyl)(hydroxy)(pyridin-2-yl)methyl)piperidin-1-yl)propoxy)benzonitrile
CID 71777743
4-[3-[4-[(S)-(3-fluorophenyl)-hydroxy-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]benzonitrile
CID 71777745
4-{2-[(3-Fluorophenyl)methoxy]-3-methylpyridin-4-yl}piperidin-4-ol
CID 25263341
1-[Benzyl(methyl)amino]-3-(4-{[(3-pyridinylmethyl)amino]methyl}phenoxy)-2-propanol
CID 16188436
1-(3,4-dihydroisoquinolin-2(1H)-yl)-3-(2-{[(pyridin-3-ylmethyl)amino]methyl}phenoxy)propan-2-ol
CID 16191168
1-[Benzyl(methyl)amino]-3-(4-{[(2-pyridin-4-ylethyl)amino]methyl}phenoxy)propan-2-ol
CID 16192374
4-[[4-[(4-Fluorophenoxy)methyl]piperidin-1-yl]methyl]pyridine;hydrate
CID 44357942
(2S)-2-[(S)-(2-ethoxyphenoxy)-pyridin-3-ylmethyl]morpholine
CID 44578926
Rac-3-((2,3-difluorophenoxy)(piperidin-4-yl)methyl)pyridine
CID 45268018
1'-[[4-(3,4-difluorophenoxy)phenyl]methyl]-6-fluorospiro[1H-furo[3,4-c]pyridine-3,4'-piperidine]
CID 45487652

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol (CID 110146551) is (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol is Cc1cnccc1CN1CC[C@H](Oc2cccc(F)c2)[C@@](C)(O)C1.
What is the InChIKey of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol?
The InChIKey is JKMVBZBMNGNYFF-OALUTQOASA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-14-11-21-8-6-15(14)12-22-9-7-18(19(2,23)13-22)24-17-5-3-4-16(20)10-17/h3-6,8,10-11,18,23H,7,9,12-13H2,1-2H3/t18-,19-/m0/s1.
What are the key properties of (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol?
(3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol has a molecular weight of 330.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(3-fluorophenoxy)-3-methyl-1-[(3-methyl-4-pyridinyl)methyl]piperidin-3-ol is sourced from PubChem (CID 110146551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).