3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride

C18H22Cl2N4O — CID 154921300

IUPAC3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(Cn2ccnc2-c2ccc3ncccc3c2)CCCNC1
InChIInChI=1S/C18H20N4O.2ClH/c23-18(6-2-7-19-12-18)13-22-10-9-21-17(22)15-4-5-16-14(11-15)3-1-8-20-16;;/h1,3-5,8-11,19,23H,2,6-7,12-13H2;2*1H
InChIKeyBHNFVBNFYHDWCA-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.06
Rot. Bonds3

About 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride

3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride (PubChem CID 154921300) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride
PubChem CID154921300
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1(Cn2ccnc2-c2ccc3ncccc3c2)CCCNC1
InChIInChI=1S/C18H20N4O.2ClH/c23-18(6-2-7-19-12-18)13-22-10-9-21-17(22)15-4-5-16-14(11-15)3-1-8-20-16;;/h1,3-5,8-11,19,23H,2,6-7,12-13H2;2*1H
InChIKeyBHNFVBNFYHDWCA-UHFFFAOYSA-N
XLogP3.06
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]imidazol-1-yl]methyl]piperidin-3-ol;hydrochloride
CID 154920567
3-quinolin-6-ylpiperidin-3-ol
CID 81216403
3-[[2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)imidazol-1-yl]methyl]piperidin-3-ol
CID 154566782
3-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]pyrrolidin-3-ol;dihydrochloride
CID 163334095
3-quinolin-7-ylpiperidin-3-ol
CID 81216263
acetic acid;6-[1-[(2S,4S)-2-ethylpiperidin-4-yl]imidazol-2-yl]quinoline
CID 154921481
acetic acid;3-[(2-pyrazolo[1,5-a]pyridin-7-ylimidazol-1-yl)methyl]pyrrolidin-3-ol
CID 155972300
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
4-[(2-thiophen-2-ylimidazol-1-yl)methyl]piperidin-4-ol
CID 81043389
acetic acid;6-[1-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]imidazol-2-yl]quinoline
CID 154922638
6-(3-methylphenyl)quinoline
CID 4185278
3-[[2-[2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]imidazol-1-yl]methyl]pyrrolidin-3-ol
CID 154571233

Frequently Asked Questions

What is the IUPAC name of 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride?
The IUPAC name of 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride (CID 154921300) is 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride.
What is the SMILES notation for 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride?
The canonical SMILES for 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride is Cl.Cl.OC1(Cn2ccnc2-c2ccc3ncccc3c2)CCCNC1.
What is the InChIKey of 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride?
The InChIKey is BHNFVBNFYHDWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.2ClH/c23-18(6-2-7-19-12-18)13-22-10-9-21-17(22)15-4-5-16-14(11-15)3-1-8-20-16;;/h1,3-5,8-11,19,23H,2,6-7,12-13H2;2*1H.
What are the key properties of 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride?
3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride has a molecular weight of 381.31 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-quinolin-6-ylimidazol-1-yl)methyl]piperidin-3-ol;dihydrochloride is sourced from PubChem (CID 154921300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).