2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline

C19H22N4 — CID 124973675

IUPAC2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
SMILESCc1cn[nH]c1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H22N4/c1-14-11-20-22-19(14)16-6-4-10-23(12-16)13-17-9-8-15-5-2-3-7-18(15)21-17/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyKLRZXNHLSCZDAQ-MRXNPFEDSA-N
MW306.41 g/mol
LogP3.65
Rot. Bonds3

About 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline

2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 124973675) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
PubChem CID124973675
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
SMILESCc1cn[nH]c1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1
InChIInChI=1S/C19H22N4/c1-14-11-20-22-19(14)16-6-4-10-23(12-16)13-17-9-8-15-5-2-3-7-18(15)21-17/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyKLRZXNHLSCZDAQ-MRXNPFEDSA-N
XLogP3.65
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline with MolForge

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Related Compounds

5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
[3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 127247164
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
2-[(3-chloropiperidin-1-yl)methyl]quinoline
CID 63387139
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
1-methyl-2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 95845112
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
N-methyl-1-[1-(quinolin-2-ylmethyl)piperidin-3-yl]ethanamine
CID 63852699

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline (CID 124973675) is 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline is Cc1cn[nH]c1[C@@H]1CCCN(Cc2ccc3ccccc3n2)C1.
What is the InChIKey of 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is KLRZXNHLSCZDAQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-11-20-22-19(14)16-6-4-10-23(12-16)13-17-9-8-15-5-2-3-7-18(15)21-17/h2-3,5,7-9,11,16H,4,6,10,12-13H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 306.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 124973675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).