4-(3-ethylpiperidin-1-yl)-2-phenylquinoline

C22H24N2 — CID 90687074

IUPAC4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
SMILESCCC1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H24N2/c1-2-17-9-8-14-24(16-17)22-15-21(18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)22/h3-7,10-13,15,17H,2,8-9,14,16H2,1H3
InChIKeyDKWAHLPEKSTIMN-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.53
Rot. Bonds3

About 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline

4-(3-ethylpiperidin-1-yl)-2-phenylquinoline (PubChem CID 90687074) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline.

Molecular Properties

Compound Name4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
PubChem CID90687074
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
SMILESCCC1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1
InChIInChI=1S/C22H24N2/c1-2-17-9-8-14-24(16-17)22-15-21(18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)22/h3-7,10-13,15,17H,2,8-9,14,16H2,1H3
InChIKeyDKWAHLPEKSTIMN-UHFFFAOYSA-N
XLogP5.53
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-ethylpiperidin-1-yl)-2-phenylquinoline
CID 91081201
(3R)-1-(2-phenylquinolin-4-yl)pyrrolidin-3-ol
CID 22965973
2-chloro-4-(3-ethylpiperidin-1-yl)quinazoline
CID 62478018
4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133401776
2-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinoline
CID 45051409
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
2-(3-ethylpiperidin-1-yl)quinoline-4-carbothioamide
CID 63885900
[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177173832
1-(2-phenylquinolin-4-yl)piperidine-4-carbonitrile
CID 10686671
2-(4-methylphenyl)-4-(4-methylpiperidin-1-yl)quinoline
CID 135294181
(3R)-3-(hydroxymethyl)-1-(2-phenylquinolin-4-yl)piperidin-3-ol
CID 95867097
acetaldehyde;N,N-diethyl-1-(2-phenylquinolin-4-yl)piperidin-4-amine;1-(2-phenylquinolin-4-yl)piperidin-4-amine;dihydrochloride
CID 158002646

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
The IUPAC name of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline (CID 90687074) is 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline.
What is the SMILES notation for 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
The canonical SMILES for 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline is CCC1CCCN(c2cc(-c3ccccc3)nc3ccccc23)C1.
What is the InChIKey of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
The InChIKey is DKWAHLPEKSTIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-2-17-9-8-14-24(16-17)22-15-21(18-10-4-3-5-11-18)23-20-13-7-6-12-19(20)22/h3-7,10-13,15,17H,2,8-9,14,16H2,1H3.
What are the key properties of 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline?
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline has a molecular weight of 316.45 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethylpiperidin-1-yl)-2-phenylquinoline is sourced from PubChem (CID 90687074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).