2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride

C16H25Cl3N2O2 — CID 171296192

IUPAC2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride
SMILESCOc1cc([C@@H](C2CCC2)N2CCNCC2)cc(Cl)c1O.Cl.Cl
InChIInChI=1S/C16H23ClN2O2.2ClH/c1-21-14-10-12(9-13(17)16(14)20)15(11-3-2-4-11)19-7-5-18-6-8-19;;/h9-11,15,18,20H,2-8H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyIOJNRVPSGJRKAV-QCUBGVIVSA-N
MW383.75 g/mol
LogP3.64
Rot. Bonds4

About 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride

2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride (PubChem CID 171296192) has the molecular formula C16H25Cl3N2O2 and a molecular weight of 383.75 g/mol. Its IUPAC name is 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride
PubChem CID171296192
Molecular FormulaC16H25Cl3N2O2
Molecular Weight383.75 g/mol
Exact Mass382.10
IUPAC Name2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride
SMILESCOc1cc([C@@H](C2CCC2)N2CCNCC2)cc(Cl)c1O.Cl.Cl
InChIInChI=1S/C16H23ClN2O2.2ClH/c1-21-14-10-12(9-13(17)16(14)20)15(11-3-2-4-11)19-7-5-18-6-8-19;;/h9-11,15,18,20H,2-8H2,1H3;2*1H/t15-;;/m1../s1
InChIKeyIOJNRVPSGJRKAV-QCUBGVIVSA-N
XLogP3.64
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.75
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[(1R)-2,2-dimethyl-1-piperazin-1-ylpropyl]-6-methoxyphenol;dihydrochloride
CID 171296210
6-chloro-2-[(S)-cyclobutyl(piperazin-1-yl)methyl]-3-methoxyphenol;dihydrochloride
CID 171298612
1-[(S)-cyclohexyl-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 171273636
2-chloro-4-[(1S)-2-fluoro-1-piperazin-1-ylethyl]-6-methoxyphenol;hydrochloride
CID 171182151
1-[(R)-(4-bromo-3,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171288222
1-[(S)-cyclobutyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171179720
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(S)-cyclohexyl-(3,4-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171273430
2-chloro-6-methoxy-4-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol;dihydrochloride
CID 171296208
2-[(R)-cyclopentyl(piperazin-1-yl)methyl]-4-fluoro-6-methoxyphenol;dihydrochloride
CID 171302213
4-[(S)-cyclopropyl(piperazin-1-yl)methyl]-2-methoxyphenol
CID 171276134
1-[(S)-cyclopentyl-(4-fluoro-3-methoxyphenyl)methyl]piperazine;hydrochloride
CID 171164961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride?
The IUPAC name of 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride (CID 171296192) is 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride.
What is the SMILES notation for 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride?
The canonical SMILES for 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride is COc1cc([C@@H](C2CCC2)N2CCNCC2)cc(Cl)c1O.Cl.Cl.
What is the InChIKey of 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride?
The InChIKey is IOJNRVPSGJRKAV-QCUBGVIVSA-N. The full InChI is InChI=1S/C16H23ClN2O2.2ClH/c1-21-14-10-12(9-13(17)16(14)20)15(11-3-2-4-11)19-7-5-18-6-8-19;;/h9-11,15,18,20H,2-8H2,1H3;2*1H/t15-;;/m1../s1.
What are the key properties of 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride?
2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride has a molecular weight of 383.75 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(R)-cyclobutyl(piperazin-1-yl)methyl]-6-methoxyphenol;dihydrochloride is sourced from PubChem (CID 171296192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).