(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol

C22H31N3O2 — CID 29085357

IUPAC(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccoc2)CC[C@H]1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-22-17-24(16-20-8-15-27-18-20)10-7-21(22)25-13-11-23(12-14-25)9-6-19-4-2-1-3-5-19/h1-5,8,15,18,21-22,26H,6-7,9-14,16-17H2/t21-,22-/m1/s1
InChIKeyWSJHCUNUSHJTIG-FGZHOGPDSA-N
MW369.51 g/mol
LogP2.08
Rot. Bonds6

About (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol

(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol (PubChem CID 29085357) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
PubChem CID29085357
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
SMILESO[C@@H]1CN(Cc2ccoc2)CC[C@H]1N1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C22H31N3O2/c26-22-17-24(16-20-8-15-27-18-20)10-7-21(22)25-13-11-23(12-14-25)9-6-19-4-2-1-3-5-19/h1-5,8,15,18,21-22,26H,6-7,9-14,16-17H2/t21-,22-/m1/s1
InChIKeyWSJHCUNUSHJTIG-FGZHOGPDSA-N
XLogP2.08
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol with MolForge

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Related Compounds

furan-3-yl-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 30728450
(3R,4R)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 29023638
(3R,4R)-1-[[4-(difluoromethoxy)phenyl]methyl]-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol
CID 45232296
(3R,4R)-1-benzyl-4-pyrrolidin-1-ylpiperidin-3-ol
CID 67310310
1-benzyl-4-piperidin-1-ylpiperidin-3-ol
CID 67311835
[(3S,4S)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 133119092
(3R,4R)-1-(2-phenylethyl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 133118132
3-[(3R,4S)-1-(furan-3-ylmethyl)-4-(4-methylpiperazin-1-yl)piperidin-3-yl]propanoic acid
CID 72868842
(3R,4R)-1-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-3-ol
CID 156503157
(3S,4S)-4-[4-(2-phenylethyl)piperazin-1-yl]-1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-3-ol
CID 133134867
6-[(3R,4R)-3-hydroxy-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 56871961
(3R,4R)-1-[[3-(furan-2-yl)phenyl]methyl]-4-(4-methylpiperazin-1-yl)piperidin-3-ol
CID 28925767

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol?
The IUPAC name of (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol (CID 29085357) is (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol is O[C@@H]1CN(Cc2ccoc2)CC[C@H]1N1CCN(CCc2ccccc2)CC1.
What is the InChIKey of (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol?
The InChIKey is WSJHCUNUSHJTIG-FGZHOGPDSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-22-17-24(16-20-8-15-27-18-20)10-7-21(22)25-13-11-23(12-14-25)9-6-19-4-2-1-3-5-19/h1-5,8,15,18,21-22,26H,6-7,9-14,16-17H2/t21-,22-/m1/s1.
What are the key properties of (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol?
(3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol has a molecular weight of 369.51 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(furan-3-ylmethyl)-4-[4-(2-phenylethyl)piperazin-1-yl]piperidin-3-ol is sourced from PubChem (CID 29085357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).