1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine

C23H27N3 — CID 143138903

IUPAC1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(c2cccc3cc(Cc4ccccc4)cnc23)CC1
InChIInChI=1S/C23H27N3/c1-2-24-21-11-13-26(14-12-21)22-10-6-9-20-16-19(17-25-23(20)22)15-18-7-4-3-5-8-18/h3-10,16-17,21,24H,2,11-15H2,1H3
InChIKeyDHNNQZCYGSIZRC-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.40
Rot. Bonds5

About 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine

1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine (PubChem CID 143138903) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine
PubChem CID143138903
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine
SMILESCCNC1CCN(c2cccc3cc(Cc4ccccc4)cnc23)CC1
InChIInChI=1S/C23H27N3/c1-2-24-21-11-13-26(14-12-21)22-10-6-9-20-16-19(17-25-23(20)22)15-18-7-4-3-5-8-18/h3-10,16-17,21,24H,2,11-15H2,1H3
InChIKeyDHNNQZCYGSIZRC-UHFFFAOYSA-N
XLogP4.40
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-N-ethylpiperidin-4-amine
CID 60862139
N-ethyl-1-(2-fluorophenyl)piperidin-4-amine
CID 43315313
N-ethyl-1-(2-propylphenyl)piperidin-4-amine
CID 54963841
N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 116784963
N-ethyl-1-(2-ethylsulfonylphenyl)piperidin-4-amine
CID 60807769
N-ethylcyclopropanamine;phenylmethanamine
CID 143821485
1-(5-tert-butyl-2-pyridinyl)-N-ethylpiperidin-4-amine
CID 107874233
N-ethyl-1-(5-methyl-3-pyridinyl)piperidin-4-amine
CID 107585707
1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]-3-[2-[4-(ethylamino)piperidin-1-yl]phenyl]urea
CID 58628835
1-(5-chloro-2-methylphenyl)-N-ethylpiperidin-4-amine
CID 54927324
N-ethyl-1-(2-phenoxyphenyl)pyrrolidin-3-amine
CID 43315198
1-(2-bromo-5-fluorophenyl)-N-ethylpiperidin-4-amine
CID 107636369

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine?
The IUPAC name of 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine (CID 143138903) is 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine?
The canonical SMILES for 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine is CCNC1CCN(c2cccc3cc(Cc4ccccc4)cnc23)CC1.
What is the InChIKey of 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine?
The InChIKey is DHNNQZCYGSIZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3/c1-2-24-21-11-13-26(14-12-21)22-10-6-9-20-16-19(17-25-23(20)22)15-18-7-4-3-5-8-18/h3-10,16-17,21,24H,2,11-15H2,1H3.
What are the key properties of 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine?
1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine has a molecular weight of 345.49 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine is sourced from PubChem (CID 143138903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).