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

C21H26N4 — CID 56705526

IUPAC4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
SMILESCC(C)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)[nH]n1
InChIInChI=1S/C21H26N4/c1-15(2)20-13-21(24-23-20)16-8-11-25(12-9-16)14-17-7-10-22-19-6-4-3-5-18(17)19/h3-7,10,13,15-16H,8-9,11-12,14H2,1-2H3,(H,23,24)
InChIKeyXRIQKACNMUSFNK-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.46
Rot. Bonds4

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

4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 56705526) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
PubChem CID56705526
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
SMILESCC(C)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)[nH]n1
InChIInChI=1S/C21H26N4/c1-15(2)20-13-21(24-23-20)16-8-11-25(12-9-16)14-17-7-10-22-19-6-4-3-5-18(17)19/h3-7,10,13,15-16H,8-9,11-12,14H2,1-2H3,(H,23,24)
InChIKeyXRIQKACNMUSFNK-UHFFFAOYSA-N
XLogP4.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]chromen-4-one
CID 56715093
4-[[4-(1-chloroethyl)piperidin-1-yl]methyl]quinoline
CID 106838033
4-[(1R)-1-[1-(quinolin-4-ylmethyl)piperidin-4-yl]ethyl]morpholine
CID 95144633
6-methyl-2-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 56711478
4-[(3-butan-2-ylpiperazin-1-yl)methyl]quinoline
CID 79232784
4-methyl-2-[[4-[3-(2-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177157
1-[[5-(oxan-2-yl)furan-2-yl]methyl]-4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidine
CID 56709388
4-methyl-2-[[4-[3-(4-methyl-3-pyridinyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]quinazoline
CID 177177219
1-(quinolin-4-ylmethyl)piperidin-4-one
CID 79235169
1-[4-(quinolin-4-ylmethyl)morpholin-2-yl]ethanamine
CID 115314848
6-methyl-2-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 92609134
2-[[4-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]-4-methylquinazoline
CID 177177243

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline (CID 56705526) is 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline is CC(C)c1cc(C2CCN(Cc3ccnc4ccccc34)CC2)[nH]n1.
What is the InChIKey of 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is XRIQKACNMUSFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-15(2)20-13-21(24-23-20)16-8-11-25(12-9-16)14-17-7-10-22-19-6-4-3-5-18(17)19/h3-7,10,13,15-16H,8-9,11-12,14H2,1-2H3,(H,23,24).
What are the key properties of 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline?
4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 334.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-propan-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 56705526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).