4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile

C20H21N5O — CID 133395785

IUPAC4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
SMILESCn1ccnc1C(O)C1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C20H21N5O/c1-24-11-8-22-20(24)19(26)14-6-9-25(10-7-14)18-12-15(13-21)23-17-5-3-2-4-16(17)18/h2-5,8,11-12,14,19,26H,6-7,9-10H2,1H3
InChIKeyNMNARVJFCWWVQQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.79
Rot. Bonds3

About 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile

4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile (PubChem CID 133395785) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile.

Molecular Properties

Compound Name4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
PubChem CID133395785
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile
SMILESCn1ccnc1C(O)C1CCN(c2cc(C#N)nc3ccccc23)CC1
InChIInChI=1S/C20H21N5O/c1-24-11-8-22-20(24)19(26)14-6-9-25(10-7-14)18-12-15(13-21)23-17-5-3-2-4-16(17)18/h2-5,8,11-12,14,19,26H,6-7,9-10H2,1H3
InChIKeyNMNARVJFCWWVQQ-UHFFFAOYSA-N
XLogP2.79
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(7-bromoquinolin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395861
(1-methylimidazol-2-yl)-[1-(2-pyridin-3-ylquinazolin-4-yl)piperidin-4-yl]methanol
CID 133395870
(1-methylimidazol-2-yl)-[1-(2-methylsulfonylphenyl)piperidin-4-yl]methanol
CID 133395796
[1-(2-tert-butylpyrimidin-4-yl)piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 133395761
(1-methylimidazol-2-yl)-[1-(2-methylpyrido[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methanol
CID 72853066
4-[4-(2-methoxyethoxy)piperidin-1-yl]quinoline-2-carbonitrile
CID 133448513
[1-(3-ethyl-2-methylquinolin-4-yl)piperidin-3-yl]-(1-methylimidazol-2-yl)methanol
CID 133438479
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
4-[(1R,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]quinoline-2-carbonitrile
CID 97218063
(1-methylimidazol-2-yl)-[1-(4,5,6-trimethylpyrimidin-2-yl)piperidin-4-yl]methanol
CID 162635184
4-(3-cyclobutylpiperidin-1-yl)quinoline-2-carbonitrile
CID 166333218
(2R)-1-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one
CID 124616877

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile?
The IUPAC name of 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile (CID 133395785) is 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile.
What is the SMILES notation for 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile?
The canonical SMILES for 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile is Cn1ccnc1C(O)C1CCN(c2cc(C#N)nc3ccccc23)CC1.
What is the InChIKey of 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile?
The InChIKey is NMNARVJFCWWVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-24-11-8-22-20(24)19(26)14-6-9-25(10-7-14)18-12-15(13-21)23-17-5-3-2-4-16(17)18/h2-5,8,11-12,14,19,26H,6-7,9-10H2,1H3.
What are the key properties of 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile?
4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]quinoline-2-carbonitrile is sourced from PubChem (CID 133395785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).