[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol

C20H30N2O2 — CID 162632832

IUPAC[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
SMILESOC[C@@]12COC[C@@H]1CN(C1CCN(CCc3ccccc3)CC1)C2
InChIInChI=1S/C20H30N2O2/c23-15-20-14-22(12-18(20)13-24-16-20)19-7-10-21(11-8-19)9-6-17-4-2-1-3-5-17/h1-5,18-19,23H,6-16H2/t18-,20-/m0/s1
InChIKeyNFCFOPMRXAYIFJ-ICSRJNTNSA-N
MW330.47 g/mol
LogP1.63
Rot. Bonds5

About [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol

[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol (PubChem CID 162632832) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol.

Molecular Properties

Compound Name[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
PubChem CID162632832
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC Name[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol
SMILESOC[C@@]12COC[C@@H]1CN(C1CCN(CCc3ccccc3)CC1)C2
InChIInChI=1S/C20H30N2O2/c23-15-20-14-22(12-18(20)13-24-16-20)19-7-10-21(11-8-19)9-6-17-4-2-1-3-5-17/h1-5,18-19,23H,6-16H2/t18-,20-/m0/s1
InChIKeyNFCFOPMRXAYIFJ-ICSRJNTNSA-N
XLogP1.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol with MolForge

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Related Compounds

(3aR,6aS)-3a-(methoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole
CID 124797045
2-[(3aS,6aR)-5-cyclobutyl-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]-N-(2-phenylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155847421
N-[[(3aR,6aS)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]cyclopropanesulfonamide
CID 124779177
(3S)-1-[1-(2-phenylethyl)piperidin-4-yl]piperidin-3-ol
CID 7047301
N-[[(3aR,6aS)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]methanesulfonamide
CID 124784233
2-[(2R)-4-[1-(2-phenylethyl)piperidin-4-yl]-1-propan-2-ylpiperazin-2-yl]ethanol
CID 98597593
2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-4-yl]piperidine
CID 7047234
[1-[1-(2-phenylethyl)piperidin-4-yl]pyrrolidin-2-yl]methanol
CID 23911512
(3aS,6aR)-3a-(ethoxymethyl)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole;2,2,2-trifluoroacetic acid
CID 155830258
N-[[(3aS,6aR)-5-(2-phenylethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]ethanesulfonamide;2,2,2-trifluoroacetic acid
CID 127021879
[(3aS,9bS)-2-(1-ethylpiperidin-4-yl)-1,3,4,9b-tetrahydrochromeno[3,4-c]pyrrol-3a-yl]methanol
CID 72915023

Frequently Asked Questions

What is the IUPAC name of [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
The IUPAC name of [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol (CID 162632832) is [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol.
What is the SMILES notation for [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
The canonical SMILES for [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol is OC[C@@]12COC[C@@H]1CN(C1CCN(CCc3ccccc3)CC1)C2.
What is the InChIKey of [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
The InChIKey is NFCFOPMRXAYIFJ-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-15-20-14-22(12-18(20)13-24-16-20)19-7-10-21(11-8-19)9-6-17-4-2-1-3-5-17/h1-5,18-19,23H,6-16H2/t18-,20-/m0/s1.
What are the key properties of [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol?
[(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol has a molecular weight of 330.47 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,6aS)-5-[1-(2-phenylethyl)piperidin-4-yl]-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methanol is sourced from PubChem (CID 162632832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).