3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine

C25H28N2O2 — CID 2857341

IUPAC3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1cc(CN2CCCCC2c2cccnc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-28-25-16-21(12-13-24(25)29-19-20-8-3-2-4-9-20)18-27-15-6-5-11-23(27)22-10-7-14-26-17-22/h2-4,7-10,12-14,16-17,23H,5-6,11,15,18-19H2,1H3
InChIKeyRPBNMMZXDHWKHD-UHFFFAOYSA-N
MW388.51 g/mol
LogP5.40
Rot. Bonds7

About 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine

3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine (PubChem CID 2857341) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
PubChem CID2857341
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
SMILESCOc1cc(CN2CCCCC2c2cccnc2)ccc1OCc1ccccc1
InChIInChI=1S/C25H28N2O2/c1-28-25-16-21(12-13-24(25)29-19-20-8-3-2-4-9-20)18-27-15-6-5-11-23(27)22-10-7-14-26-17-22/h2-4,7-10,12-14,16-17,23H,5-6,11,15,18-19H2,1H3
InChIKeyRPBNMMZXDHWKHD-UHFFFAOYSA-N
XLogP5.40
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.51
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 1353857
1-[[3-methoxy-4-(pyridin-4-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine;hydrochloride
CID 120768105
3-[(2R)-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872916
3-[(2S)-1-[(4-methoxyphenyl)methyl]piperidin-2-yl]pyridine
CID 872941
1-[[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methyl]-2-pyridin-3-ylpiperazine
CID 120768336
(2S)-1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-2-pyridin-4-ylazepane
CID 97252903
3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]piperidin-2-yl]pyridine;oxalic acid
CID 44667573
2-methoxy-5-[(2-pyridin-3-ylpyrrolidin-1-yl)methyl]pyrimidine
CID 131932086
3-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyridine
CID 872932
1-[3-methoxy-4-[2-(2-pyridin-3-ylpiperidin-1-yl)ethoxy]phenyl]ethanone;oxalic acid
CID 44667951
3-[(2S)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-2-yl]pyridine
CID 838789
2-methylsulfanyl-5-[[(2R)-2-pyridin-3-ylpiperidin-1-yl]methyl]pyrimidine
CID 99954193

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine (CID 2857341) is 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine is COc1cc(CN2CCCCC2c2cccnc2)ccc1OCc1ccccc1.
What is the InChIKey of 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine?
The InChIKey is RPBNMMZXDHWKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-28-25-16-21(12-13-24(25)29-19-20-8-3-2-4-9-20)18-27-15-6-5-11-23(27)22-10-7-14-26-17-22/h2-4,7-10,12-14,16-17,23H,5-6,11,15,18-19H2,1H3.
What are the key properties of 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine?
3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine has a molecular weight of 388.51 g/mol, XLogP of 5.40, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 2857341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).