3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol

C26H32N2O2S — CID 138560347

IUPAC3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol
SMILESCNCCC(Oc1cccc(CN2CCC(c3cccc(O)c3)CC2)c1)c1cccs1
InChIInChI=1S/C26H32N2O2S/c1-27-13-10-25(26-9-4-16-31-26)30-24-8-2-5-20(17-24)19-28-14-11-21(12-15-28)22-6-3-7-23(29)18-22/h2-9,16-18,21,25,27,29H,10-15,19H2,1H3
InChIKeyCJROKYAMXKWOQP-UHFFFAOYSA-N
MW436.62 g/mol
LogP5.56
Rot. Bonds9

About 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol

3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol (PubChem CID 138560347) has the molecular formula C26H32N2O2S and a molecular weight of 436.62 g/mol. Its IUPAC name is 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol
PubChem CID138560347
Molecular FormulaC26H32N2O2S
Molecular Weight436.62 g/mol
Exact Mass436.22
IUPAC Name3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol
SMILESCNCCC(Oc1cccc(CN2CCC(c3cccc(O)c3)CC2)c1)c1cccs1
InChIInChI=1S/C26H32N2O2S/c1-27-13-10-25(26-9-4-16-31-26)30-24-8-2-5-20(17-24)19-28-14-11-21(12-15-28)22-6-3-7-23(29)18-22/h2-9,16-18,21,25,27,29H,10-15,19H2,1H3
InChIKeyCJROKYAMXKWOQP-UHFFFAOYSA-N
XLogP5.56
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.62
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol with MolForge

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Related Compounds

(3R)-N-methyl-3-[3-(1-methylpiperidin-4-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 137371830
N-methyl-3-[2-[(4-pyridin-3-ylpiperidin-1-yl)methyl]phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 146308767
3-[1-[2-[2-[3-(methylamino)-1-phenylpropoxy]anilino]ethyl]piperidin-4-yl]phenol
CID 146308929
[(4S)-2,2-dimethyl-4-[4-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperazin-1-yl]oxan-4-yl]-pyridin-2-ylmethanone
CID 138560415
3-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)phenoxy]-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 138560331
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
CID 78833986
4-[[2-fluoro-4-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-1-methyl-1,4-diazepan-5-one
CID 142566937
2-methyl-N-[3-[1-[[3-(4-methylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]propanamide
CID 16756522
N-[3-[1-[[3-(4-tert-butylphenoxy)phenyl]methyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 16756523
1-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-ol
CID 51086648
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 42472395
2-[[4-[(1S)-3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one;sulfane
CID 159790140

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol (CID 138560347) is 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol is CNCCC(Oc1cccc(CN2CCC(c3cccc(O)c3)CC2)c1)c1cccs1.
What is the InChIKey of 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol?
The InChIKey is CJROKYAMXKWOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2S/c1-27-13-10-25(26-9-4-16-31-26)30-24-8-2-5-20(17-24)19-28-14-11-21(12-15-28)22-6-3-7-23(29)18-22/h2-9,16-18,21,25,27,29H,10-15,19H2,1H3.
What are the key properties of 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol?
3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol has a molecular weight of 436.62 g/mol, XLogP of 5.56, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 138560347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).