6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline

C18H20N4 — CID 124568885

IUPAC6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
SMILESc1cnc2ccc(CN3CCC[C@@H](c4ccn[nH]4)C3)cc2c1
InChIInChI=1S/C18H20N4/c1-3-15-11-14(5-6-17(15)19-8-1)12-22-10-2-4-16(13-22)18-7-9-20-21-18/h1,3,5-9,11,16H,2,4,10,12-13H2,(H,20,21)/t16-/m1/s1
InChIKeyUNBJNQKWPVODGO-MRXNPFEDSA-N
MW292.39 g/mol
LogP3.34
Rot. Bonds3

About 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline

6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 124568885) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
PubChem CID124568885
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
SMILESc1cnc2ccc(CN3CCC[C@@H](c4ccn[nH]4)C3)cc2c1
InChIInChI=1S/C18H20N4/c1-3-15-11-14(5-6-17(15)19-8-1)12-22-10-2-4-16(13-22)18-7-9-20-21-18/h1,3,5-9,11,16H,2,4,10,12-13H2,(H,20,21)/t16-/m1/s1
InChIKeyUNBJNQKWPVODGO-MRXNPFEDSA-N
XLogP3.34
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
6-[[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 119075050
6-[[(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]quinoline
CID 126454219
(3S)-1-(quinolin-6-ylmethyl)pyrrolidin-3-ol
CID 79031483
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
6-[[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]quinoline
CID 95829818
[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62062726
6-[[(3S)-3-methylpiperazin-1-yl]methyl]quinoline
CID 103885682
(4-chlorophenyl)-[(3S)-1-(quinolin-6-ylmethyl)piperidin-3-yl]methanone
CID 42198031
3-[[1-(quinolin-6-ylmethyl)piperidin-3-yl]methyl]pyrazin-2-amine
CID 110113146
pyrrolidin-1-yl-[3-[1-(quinolin-6-ylmethyl)piperidin-3-yl]-1,2-oxazol-5-yl]methanone
CID 110228870

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline (CID 124568885) is 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline is c1cnc2ccc(CN3CCC[C@@H](c4ccn[nH]4)C3)cc2c1.
What is the InChIKey of 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is UNBJNQKWPVODGO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-15-11-14(5-6-17(15)19-8-1)12-22-10-2-4-16(13-22)18-7-9-20-21-18/h1,3,5-9,11,16H,2,4,10,12-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 292.39 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 124568885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).