(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol

C19H26N2O4 — CID 97039032

IUPAC(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESCOc1cc(CN2CCN(C[C@@H](O)c3ccco3)CC2)cc(OC)c1
InChIInChI=1S/C19H26N2O4/c1-23-16-10-15(11-17(12-16)24-2)13-20-5-7-21(8-6-20)14-18(22)19-4-3-9-25-19/h3-4,9-12,18,22H,5-8,13-14H2,1-2H3/t18-/m1/s1
InChIKeyYQYXCYICTCQITB-GOSISDBHSA-N
MW346.43 g/mol
LogP2.15
Rot. Bonds7

About (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol

(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol (PubChem CID 97039032) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
PubChem CID97039032
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol
SMILESCOc1cc(CN2CCN(C[C@@H](O)c3ccco3)CC2)cc(OC)c1
InChIInChI=1S/C19H26N2O4/c1-23-16-10-15(11-17(12-16)24-2)13-20-5-7-21(8-6-20)14-18(22)19-4-3-9-25-19/h3-4,9-12,18,22H,5-8,13-14H2,1-2H3/t18-/m1/s1
InChIKeyYQYXCYICTCQITB-GOSISDBHSA-N
XLogP2.15
TPSA58.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol with MolForge

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Related Compounds

2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol;dihydrochloride
CID 71783363
2-(4-benzylpiperazin-1-yl)-1-(furan-2-yl)ethanol
CID 71683705
1-[(3,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine;hydrochloride
CID 163326430
1-(furan-2-yl)-2-pyrrolidin-1-ylethanol
CID 55212016
1,4,7-tris[[3,5-bis[(3,5-dimethoxyphenyl)methoxy]phenyl]methyl]-1,4,7-triazonane
CID 100958899
N-ethyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783458
[4-[2-(furan-2-yl)-2-hydroxyethyl]piperazin-1-yl]-naphthalen-2-ylmethanone;hydrochloride
CID 71783190
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 2874283
N-benzyl-4-[2-(furan-2-yl)-2-hydroxyethyl]piperazine-1-carboxamide
CID 71783448
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(furan-2-yl)ethanol
CID 82044560
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-(3-methoxyphenoxy)propan-2-ol
CID 4729498

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The IUPAC name of (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol (CID 97039032) is (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The canonical SMILES for (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol is COc1cc(CN2CCN(C[C@@H](O)c3ccco3)CC2)cc(OC)c1.
What is the InChIKey of (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
The InChIKey is YQYXCYICTCQITB-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-23-16-10-15(11-17(12-16)24-2)13-20-5-7-21(8-6-20)14-18(22)19-4-3-9-25-19/h3-4,9-12,18,22H,5-8,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol?
(1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol has a molecular weight of 346.43 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[4-[(3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(furan-2-yl)ethanol is sourced from PubChem (CID 97039032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).