2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride

C16H27Cl3N2O2 — CID 171296210

IUPAC2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride
SMILESCOc1cc([C@H](N2CCNCC2)C(C)(C)C)cc(Cl)c1O.Cl.Cl
InChIInChI=1S/C16H25ClN2O2.2ClH/c1-16(2,3)15(19-7-5-18-6-8-19)11-9-12(17)14(20)13(10-11)21-4;;/h9-10,15,18,20H,5-8H2,1-4H3;2*1H/t15-;;/m0../s1
InChIKeyYQMGSEBGYFMCBE-CKUXDGONSA-N
MW385.76 g/mol
LogP3.89
Rot. Bonds3

About 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride

2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride (PubChem CID 171296210) has the molecular formula C16H27Cl3N2O2 and a molecular weight of 385.76 g/mol. Its IUPAC name is 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride
PubChem CID171296210
Molecular FormulaC16H27Cl3N2O2
Molecular Weight385.76 g/mol
Exact Mass384.11
IUPAC Name2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride
SMILESCOc1cc([C@H](N2CCNCC2)C(C)(C)C)cc(Cl)c1O.Cl.Cl
InChIInChI=1S/C16H25ClN2O2.2ClH/c1-16(2,3)15(19-7-5-18-6-8-19)11-9-12(17)14(20)13(10-11)21-4;;/h9-10,15,18,20H,5-8H2,1-4H3;2*1H/t15-;;/m0../s1
InChIKeyYQMGSEBGYFMCBE-CKUXDGONSA-N
XLogP3.89
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.76
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride with MolForge

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Related Compounds

4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2,6-dimethoxyphenol
CID 171273795
1-[(1S)-2,2-dimethyl-1-(3,4,5-trimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273651
1-[(1S)-1-(4-bromo-3,5-dimethoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275614
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;hydrochloride
CID 171182151
2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride
CID 171296192
4-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxy-6-nitrophenol
CID 171279436
2-chloro-6-methoxy-4-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171304123
2-chloro-6-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171296208
2,6-dimethoxy-4-[(1S)-2,2,2-trifluoro-1-piperazin-1-ylethyl]phenol
CID 171175188
(3S)-3-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306414
5-[(1S)-2,2-dimethyl-1-piperazin-1-ylpropyl]-2-methoxyphenol
CID 171273410
2-chloro-6-methoxy-4-[(S)-piperazin-1-yl(thiophen-2-yl)methyl]phenol;dihydrochloride
CID 171296198

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride?
The IUPAC name of 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride (CID 171296210) is 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride.
What is the SMILES notation for 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride?
The canonical SMILES for 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride is COc1cc([C@H](N2CCNCC2)C(C)(C)C)cc(Cl)c1O.Cl.Cl.
What is the InChIKey of 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride?
The InChIKey is YQMGSEBGYFMCBE-CKUXDGONSA-N. The full InChI is InChI=1S/C16H25ClN2O2.2ClH/c1-16(2,3)15(19-7-5-18-6-8-19)11-9-12(17)14(20)13(10-11)21-4;;/h9-10,15,18,20H,5-8H2,1-4H3;2*1H/t15-;;/m0../s1.
What are the key properties of 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride?
2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride has a molecular weight of 385.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride is sourced from PubChem (CID 171296210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).