4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine

C22H31N3O — CID 133401776

IUPAC4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCCCc1cc(N2CCCC(CN3CCOCC3)C2)c2ccccc2n1
InChIInChI=1S/C22H31N3O/c1-2-6-19-15-22(20-8-3-4-9-21(20)23-19)25-10-5-7-18(17-25)16-24-11-13-26-14-12-24/h3-4,8-9,15,18H,2,5-7,10-14,16-17H2,1H3
InChIKeyTYCXKTJQJYYAEB-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.74
Rot. Bonds5

About 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine

4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine (PubChem CID 133401776) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
PubChem CID133401776
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
SMILESCCCc1cc(N2CCCC(CN3CCOCC3)C2)c2ccccc2n1
InChIInChI=1S/C22H31N3O/c1-2-6-19-15-22(20-8-3-4-9-21(20)23-19)25-10-5-7-18(17-25)16-24-11-13-26-14-12-24/h3-4,8-9,15,18H,2,5-7,10-14,16-17H2,1H3
InChIKeyTYCXKTJQJYYAEB-UHFFFAOYSA-N
XLogP3.74
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3R)-1-(2,3-dimethylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 154755885
N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
CID 133405148
2-propyl-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline
CID 133401235
4-[[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]morpholine
CID 95624715
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
4-[[1-(6-bromoquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133322304
4-[[(3S)-1-[3-[(3S)-3-(trifluoromethyl)pyrrolidin-1-yl]quinoxalin-2-yl]piperidin-3-yl]methyl]morpholine
CID 167954677
2-(1-methylpyrazol-4-yl)-4-(2-propylquinolin-4-yl)morpholine
CID 133412215
7-(2-propylquinolin-4-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 133412371
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine (CID 133401776) is 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine is CCCc1cc(N2CCCC(CN3CCOCC3)C2)c2ccccc2n1.
What is the InChIKey of 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
The InChIKey is TYCXKTJQJYYAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-2-6-19-15-22(20-8-3-4-9-21(20)23-19)25-10-5-7-18(17-25)16-24-11-13-26-14-12-24/h3-4,8-9,15,18H,2,5-7,10-14,16-17H2,1H3.
What are the key properties of 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine?
4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine has a molecular weight of 353.51 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine is sourced from PubChem (CID 133401776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).