(3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol

C19H24N2O2 — CID 31162400

IUPAC(3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C2CCN(c3cccc(-c4ccco4)c3)CC2)C1
InChIInChI=1S/C19H24N2O2/c22-18-8-11-21(14-18)16-6-9-20(10-7-16)17-4-1-3-15(13-17)19-5-2-12-23-19/h1-5,12-13,16,18,22H,6-11,14H2/t18-/m1/s1
InChIKeyPJJXKNXZNSQHAH-GOSISDBHSA-N
MW312.41 g/mol
LogP2.98
Rot. Bonds3

About (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol

(3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol (PubChem CID 31162400) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol
PubChem CID31162400
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol
SMILESO[C@@H]1CCN(C2CCN(c3cccc(-c4ccco4)c3)CC2)C1
InChIInChI=1S/C19H24N2O2/c22-18-8-11-21(14-18)16-6-9-20(10-7-16)17-4-1-3-15(13-17)19-5-2-12-23-19/h1-5,12-13,16,18,22H,6-11,14H2/t18-/m1/s1
InChIKeyPJJXKNXZNSQHAH-GOSISDBHSA-N
XLogP2.98
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-{1-[4-(2-Furyl)phenyl]-4-piperidinyl}-3-pyrrolidinyl)methanamine
CID 45231238
(2e)-3-(2-furyl)-N-[3-(hydroxymethyl)-4-morpholin-4-ylphenyl]acrylamide
CID 44455231
5-[[(E)-3-(furan-2-yl)prop-2-enoyl]-methylamino]-2-morpholin-4-ylbenzoic acid
CID 46933446
(E)-3-(furan-2-yl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
CID 162662401
3-(furan-2-yl)-N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide;hydrochloride
CID 177656123
3-(2-Furyl)-1-[4-(1-piperidyl)phenyl]propan-1-one
CID 134816054
N-[(3S)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 31105115
N-[3-(2-furyl)phenyl]-4-(pyrrolidin-1-ylcarbonyl)piperidine-1-carboxamide
CID 118765639
N-[3-(2-furyl)phenyl]-N'-{3-[(1-methylpiperidin-4-yl)oxy]propyl}urea
CID 118787138
1-[2-(4-Fluorophenyl)furan-3-yl]piperidin-4-ol
CID 91285081
2-(aminomethyl)-6-[(3S)-3-hydroxypyrrolidin-1-yl]chromen-4-one
CID 126484737
7-[2-fluoro-5-(furan-2-yl)phenyl]-1-methyl-3,3a,4,5,6,7a-hexahydro-2H-pyrrolo[2,3-b]pyridine
CID 141527430

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol (CID 31162400) is (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol is O[C@@H]1CCN(C2CCN(c3cccc(-c4ccco4)c3)CC2)C1.
What is the InChIKey of (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is PJJXKNXZNSQHAH-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18-8-11-21(14-18)16-6-9-20(10-7-16)17-4-1-3-15(13-17)19-5-2-12-23-19/h1-5,12-13,16,18,22H,6-11,14H2/t18-/m1/s1.
What are the key properties of (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 312.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[3-(furan-2-yl)phenyl]piperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 31162400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).