N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine

C21H27N5 — CID 72863111

IUPACN,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
SMILESCN(C)CCn1ccnc1C1CCCN(c2ccnc3ccccc23)C1
InChIInChI=1S/C21H27N5/c1-24(2)14-15-25-13-11-23-21(25)17-6-5-12-26(16-17)20-9-10-22-19-8-4-3-7-18(19)20/h3-4,7-11,13,17H,5-6,12,14-16H2,1-2H3
InChIKeyRGVUDIJCNXRGMP-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.38
Rot. Bonds5

About N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine

N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine (PubChem CID 72863111) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
PubChem CID72863111
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
SMILESCN(C)CCn1ccnc1C1CCCN(c2ccnc3ccccc23)C1
InChIInChI=1S/C21H27N5/c1-24(2)14-15-25-13-11-23-21(25)17-6-5-12-26(16-17)20-9-10-22-19-8-4-3-7-18(19)20/h3-4,7-11,13,17H,5-6,12,14-16H2,1-2H3
InChIKeyRGVUDIJCNXRGMP-UHFFFAOYSA-N
XLogP3.38
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[2-[(3S)-1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97189808
4-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 70726995
4-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 96574055
N,N-dimethyl-3-[2-[1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72838131
4-[(3S)-3-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]quinoline
CID 97155167
2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72884806
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine?
The IUPAC name of N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine (CID 72863111) is N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine.
What is the SMILES notation for N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine?
The canonical SMILES for N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine is CN(C)CCn1ccnc1C1CCCN(c2ccnc3ccccc23)C1.
What is the InChIKey of N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine?
The InChIKey is RGVUDIJCNXRGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-24(2)14-15-25-13-11-23-21(25)17-6-5-12-26(16-17)20-9-10-22-19-8-4-3-7-18(19)20/h3-4,7-11,13,17H,5-6,12,14-16H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine?
N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine has a molecular weight of 349.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine is sourced from PubChem (CID 72863111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).