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

C20H32N2O4 — CID 98579803

IUPAC2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(C3CCOCC3)C[C@H]2CCO)cc(OC)c1
InChIInChI=1S/C20H32N2O4/c1-24-19-11-16(12-20(13-19)25-2)14-21-6-7-22(15-18(21)3-8-23)17-4-9-26-10-5-17/h11-13,17-18,23H,3-10,14-15H2,1-2H3/t18-/m1/s1
InChIKeyLTLNSZHEEQQZKC-GOSISDBHSA-N
MW364.49 g/mol
LogP1.75
Rot. Bonds7

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

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol (PubChem CID 98579803) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
PubChem CID98579803
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
SMILESCOc1cc(CN2CCN(C3CCOCC3)C[C@H]2CCO)cc(OC)c1
InChIInChI=1S/C20H32N2O4/c1-24-19-11-16(12-20(13-19)25-2)14-21-6-7-22(15-18(21)3-8-23)17-4-9-26-10-5-17/h11-13,17-18,23H,3-10,14-15H2,1-2H3/t18-/m1/s1
InChIKeyLTLNSZHEEQQZKC-GOSISDBHSA-N
XLogP1.75
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,4-dithiepan-6-yl)piperazin-2-yl]ethanol
CID 98573458
2-[(2S)-1-[(4-methylphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol
CID 92666914
2-[(2R)-4-(cyclopropylmethyl)-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98567856
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(hydroxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45212256
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(1,3-thiazol-2-ylmethyl)piperazin-2-yl]ethanol
CID 98587999
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 51906840
2-chloro-4-[[(3R)-4-[(3,5-dimethoxyphenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 98588325
2-[1-[(3,5-dimethoxyphenyl)methyl]-4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-2-yl]ethanol
CID 45238988
2-[4-(oxan-4-yl)-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 45188465
2-[(2R)-4-[(3,4-difluorophenyl)methyl]-1-[(3,5-dimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 98576280
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazin-2-yl]ethanol
CID 98587642
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-[(2,5-dimethylphenyl)methyl]piperazin-2-yl]ethanol
CID 51901673

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol (CID 98579803) is 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol is COc1cc(CN2CCN(C3CCOCC3)C[C@H]2CCO)cc(OC)c1.
What is the InChIKey of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
The InChIKey is LTLNSZHEEQQZKC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-24-19-11-16(12-20(13-19)25-2)14-21-6-7-22(15-18(21)3-8-23)17-4-9-26-10-5-17/h11-13,17-18,23H,3-10,14-15H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol?
2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol has a molecular weight of 364.49 g/mol, XLogP of 1.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[(3,5-dimethoxyphenyl)methyl]-4-(oxan-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98579803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).