2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride

C18H30Cl2N2O2 — CID 171275901

IUPAC2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
SMILESCOc1ccc(O)c([C@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H28N2O2.2ClH/c1-22-15-7-8-17(21)16(13-15)18(14-5-3-2-4-6-14)20-11-9-19-10-12-20;;/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyWNDRYSDUJFUNSW-NTEVMMBTSA-N
MW377.36 g/mol
LogP3.77
Rot. Bonds4

About 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride

2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride (PubChem CID 171275901) has the molecular formula C18H30Cl2N2O2 and a molecular weight of 377.36 g/mol. Its IUPAC name is 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride.

Molecular Properties

Compound Name2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
PubChem CID171275901
Molecular FormulaC18H30Cl2N2O2
Molecular Weight377.36 g/mol
Exact Mass376.17
IUPAC Name2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride
SMILESCOc1ccc(O)c([C@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl
InChIInChI=1S/C18H28N2O2.2ClH/c1-22-15-7-8-17(21)16(13-15)18(14-5-3-2-4-6-14)20-11-9-19-10-12-20;;/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3;2*1H/t18-;;/m0../s1
InChIKeyWNDRYSDUJFUNSW-NTEVMMBTSA-N
XLogP3.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(S)-cyclopropyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171275894
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-5-methoxyphenol
CID 171274434
4-methoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171275905
1-[(S)-cyclohexyl-(2,5-dimethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171274120
1-[(R)-cyclohexyl-(2-fluoro-5-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171292805
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
2-[(R)-cyclohexyl(piperazin-1-yl)methyl]-4-fluorophenol;hydrochloride
CID 171168246
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
2-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methylphenol
CID 171288260
4-chloro-2-[(S)-cyclopentyl(piperazin-1-yl)methyl]phenol
CID 171272117
2-bromo-6-[(R)-cyclobutyl(piperazin-1-yl)methyl]-4-methoxyphenol
CID 171301210
1-[(R)-cyclohexyl-(3-methoxyphenyl)methyl]piperazine;dihydrochloride
CID 171286720

Frequently Asked Questions

What is the IUPAC name of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride?
The IUPAC name of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride (CID 171275901) is 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride.
What is the SMILES notation for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride?
The canonical SMILES for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride is COc1ccc(O)c([C@H](C2CCCCC2)N2CCNCC2)c1.Cl.Cl.
What is the InChIKey of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride?
The InChIKey is WNDRYSDUJFUNSW-NTEVMMBTSA-N. The full InChI is InChI=1S/C18H28N2O2.2ClH/c1-22-15-7-8-17(21)16(13-15)18(14-5-3-2-4-6-14)20-11-9-19-10-12-20;;/h7-8,13-14,18-19,21H,2-6,9-12H2,1H3;2*1H/t18-;;/m0../s1.
What are the key properties of 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride?
2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(S)-cyclohexyl(piperazin-1-yl)methyl]-4-methoxyphenol;dihydrochloride is sourced from PubChem (CID 171275901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).