[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

C25H31NO3 — CID 25306756

IUPAC[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOc1ccc2c(c1)C=C(CN1CCC[C@@](CO)(CCc3ccccc3)C1)CO2
InChIInChI=1S/C25H31NO3/c1-28-23-8-9-24-22(15-23)14-21(17-29-24)16-26-13-5-11-25(18-26,19-27)12-10-20-6-3-2-4-7-20/h2-4,6-9,14-15,27H,5,10-13,16-19H2,1H3/t25-/m1/s1
InChIKeyKOZKNWPFUUCSOB-RUZDIDTESA-N
MW393.53 g/mol
LogP4.18
Rot. Bonds7

About [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol

[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (PubChem CID 25306756) has the molecular formula C25H31NO3 and a molecular weight of 393.53 g/mol. Its IUPAC name is [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
PubChem CID25306756
Molecular FormulaC25H31NO3
Molecular Weight393.53 g/mol
Exact Mass393.23
IUPAC Name[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
SMILESCOc1ccc2c(c1)C=C(CN1CCC[C@@](CO)(CCc3ccccc3)C1)CO2
InChIInChI=1S/C25H31NO3/c1-28-23-8-9-24-22(15-23)14-21(17-29-24)16-26-13-5-11-25(18-26,19-27)12-10-20-6-3-2-4-7-20/h2-4,6-9,14-15,27H,5,10-13,16-19H2,1H3/t25-/m1/s1
InChIKeyKOZKNWPFUUCSOB-RUZDIDTESA-N
XLogP4.18
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol with MolForge

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Related Compounds

[(3R)-1-[(2,4-dimethoxyphenyl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25309995
ethyl 1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-methoxyethyl)piperidine-3-carboxylate
CID 45212947
[(3R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 25449478
[(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42591966
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-9-oxa-1,4-diazaspiro[5.5]undecane
CID 139598716
[1-[(3-methoxyphenyl)methyl]-3-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 45196442
[(3S)-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol
CID 26405340
(3R,4S)-3-ethyl-1-[(6-methoxy-2H-chromen-3-yl)methyl]-4-methylpiperidin-4-ol
CID 133120080
2-[(2R)-4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98677545
4-[(6-methoxy-2H-chromen-3-yl)methyl]-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72915228
[3-[(3-chlorophenyl)methyl]-1-[(2-fluoro-5-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 23723435
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol (CID 25306756) is [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is COc1ccc2c(c1)C=C(CN1CCC[C@@](CO)(CCc3ccccc3)C1)CO2.
What is the InChIKey of [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
The InChIKey is KOZKNWPFUUCSOB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H31NO3/c1-28-23-8-9-24-22(15-23)14-21(17-29-24)16-26-13-5-11-25(18-26,19-27)12-10-20-6-3-2-4-7-20/h2-4,6-9,14-15,27H,5,10-13,16-19H2,1H3/t25-/m1/s1.
What are the key properties of [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol?
[(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol has a molecular weight of 393.53 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(6-methoxy-2H-chromen-3-yl)methyl]-3-(2-phenylethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 25306756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).