2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol

C23H30N2O2 — CID 95868039

IUPAC2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c26-15-16-27-23-9-5-19(6-10-23)18-24-11-13-25(14-12-24)22-8-7-20-3-1-2-4-21(20)17-22/h1-6,9-10,22,26H,7-8,11-18H2/t22-/m0/s1
InChIKeySHBDBEPAFMDDER-QFIPXVFZSA-N
MW366.51 g/mol
LogP2.73
Rot. Bonds6

About 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol

2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol (PubChem CID 95868039) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
PubChem CID95868039
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol
SMILESOCCOc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c26-15-16-27-23-9-5-19(6-10-23)18-24-11-13-25(14-12-24)22-8-7-20-3-1-2-4-21(20)17-22/h1-6,9-10,22,26H,7-8,11-18H2/t22-/m0/s1
InChIKeySHBDBEPAFMDDER-QFIPXVFZSA-N
XLogP2.73
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol with MolForge

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Related Compounds

2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
4-[[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 167751175
4-[[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 77078967
[1-[1-[[4-(2-hydroxyethoxy)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 29213317
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine
CID 99954441
2-[(2S)-1-cyclohexyl-4-[[4-(2-hydroxyethoxy)phenyl]methyl]piperazin-2-yl]ethanol
CID 28733456
2-[4-[[(1S,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]phenoxy]ethanol
CID 72926829
N-[(3S)-1-[[4-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]benzenesulfonamide
CID 25042421
2-[4-[[(3R)-3-(2-methylphenyl)piperidin-1-yl]methyl]phenoxy]ethanol
CID 95867281
1'-[[4-(2-hydroxyethoxy)phenyl]methyl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 74251453
1-benzyl-4-cyclopropylpiperazine
CID 69195043

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol?
The IUPAC name of 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol (CID 95868039) is 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol.
What is the SMILES notation for 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol?
The canonical SMILES for 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol is OCCOc1ccc(CN2CCN([C@H]3CCc4ccccc4C3)CC2)cc1.
What is the InChIKey of 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol?
The InChIKey is SHBDBEPAFMDDER-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c26-15-16-27-23-9-5-19(6-10-23)18-24-11-13-25(14-12-24)22-8-7-20-3-1-2-4-21(20)17-22/h1-6,9-10,22,26H,7-8,11-18H2/t22-/m0/s1.
What are the key properties of 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol?
2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol has a molecular weight of 366.51 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]phenoxy]ethanol is sourced from PubChem (CID 95868039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).