2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride

C18H32Cl2N2O2 — CID 171310734

IUPAC2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCOc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1O.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-4-22-18-13-15(6-8-17(18)21)16(7-5-14(2)3)20-11-9-19-10-12-20;;/h6,8,13-14,16,19,21H,4-5,7,9-12H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeyDGELKEANHHANRG-GGMCWBHBSA-N
MW379.37 g/mol
LogP4.02
Rot. Bonds7

About 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride

2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride (PubChem CID 171310734) has the molecular formula C18H32Cl2N2O2 and a molecular weight of 379.37 g/mol. Its IUPAC name is 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride.

Molecular Properties

Compound Name2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
PubChem CID171310734
Molecular FormulaC18H32Cl2N2O2
Molecular Weight379.37 g/mol
Exact Mass378.18
IUPAC Name2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride
SMILESCCOc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1O.Cl.Cl
InChIInChI=1S/C18H30N2O2.2ClH/c1-4-22-18-13-15(6-8-17(18)21)16(7-5-14(2)3)20-11-9-19-10-12-20;;/h6,8,13-14,16,19,21H,4-5,7,9-12H2,1-3H3;2*1H/t16-;;/m1../s1
InChIKeyDGELKEANHHANRG-GGMCWBHBSA-N
XLogP4.02
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol
CID 171168746
2-ethoxy-4-(2-hydroxy-1-piperazin-1-ylethyl)phenol
CID 61054508
2-ethoxy-4-[(1R)-1-piperazin-1-ylbut-3-enyl]phenol
CID 171287186
1-[(1R)-1-(3-ethoxy-4-phenylmethoxyphenyl)-4-methylpentyl]piperazine
CID 171311115
[2-hydroxy-4-[(1S)-4-methyl-1-piperazin-1-ylpentyl]phenyl] acetate;dihydrochloride
CID 171310476
4-[(1S)-2,2-difluoro-1-piperazin-1-ylethyl]-2-ethoxyphenol
CID 171287183
4-[(1S)-3-fluoro-1-piperazin-1-ylpropyl]-2-methoxyphenol;hydrochloride
CID 171163905
2-ethoxy-4-[(1S)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171274552
2-methoxy-4-[(1S)-1-piperazin-1-ylpentyl]phenol
CID 171308957
2-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171303539
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-piperazin-1-ylpropan-1-ol
CID 171189664
1-[(1R)-1-(2-ethoxyphenyl)-4-methylpentyl]piperazine
CID 171310795

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The IUPAC name of 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride (CID 171310734) is 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride.
What is the SMILES notation for 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The canonical SMILES for 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride is CCOc1cc([C@@H](CCC(C)C)N2CCNCC2)ccc1O.Cl.Cl.
What is the InChIKey of 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
The InChIKey is DGELKEANHHANRG-GGMCWBHBSA-N. The full InChI is InChI=1S/C18H30N2O2.2ClH/c1-4-22-18-13-15(6-8-17(18)21)16(7-5-14(2)3)20-11-9-19-10-12-20;;/h6,8,13-14,16,19,21H,4-5,7,9-12H2,1-3H3;2*1H/t16-;;/m1../s1.
What are the key properties of 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride?
2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride has a molecular weight of 379.37 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-[(1R)-4-methyl-1-piperazin-1-ylpentyl]phenol;dihydrochloride is sourced from PubChem (CID 171310734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).