5-piperidin-1-yl-3,4-dihydroisoquinoline

C14H18N2 — CID 121348828

IUPAC5-piperidin-1-yl-3,4-dihydroisoquinoline
SMILESC1=NCCc2c1cccc2N1CCCCC1
InChIInChI=1S/C14H18N2/c1-2-9-16(10-3-1)14-6-4-5-12-11-15-8-7-13(12)14/h4-6,11H,1-3,7-10H2
InChIKeyIJDSYTSVSRGQDM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.65
Rot. Bonds1

About 5-piperidin-1-yl-3,4-dihydroisoquinoline

5-piperidin-1-yl-3,4-dihydroisoquinoline (PubChem CID 121348828) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-piperidin-1-yl-3,4-dihydroisoquinoline.

Molecular Properties

Compound Name5-piperidin-1-yl-3,4-dihydroisoquinoline
PubChem CID121348828
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-piperidin-1-yl-3,4-dihydroisoquinoline
SMILESC1=NCCc2c1cccc2N1CCCCC1
InChIInChI=1S/C14H18N2/c1-2-9-16(10-3-1)14-6-4-5-12-11-15-8-7-13(12)14/h4-6,11H,1-3,7-10H2
InChIKeyIJDSYTSVSRGQDM-UHFFFAOYSA-N
XLogP2.65
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 4-(3,4-dihydroisoquinolin-5-yl)piperazine-1-carboxylate
CID 89499905
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1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
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3-(azepan-1-yl)-2-isocyanobenzonitrile
CID 123514426
1-[2-(1,2,4-triazol-4-yl)phenyl]piperidine
CID 50879631
5-piperidin-1-ylquinoline
CID 12887802
3-(azocan-1-yl)pyridin-2-amine
CID 104539725
(2-piperidin-1-ylphenyl)boronic acid
CID 4192666
1-(5-bromo-3,4-dihydronaphthalen-2-yl)pyrrolidine
CID 19043214
1-(2-bromo-6-pyrrolidin-1-ylphenyl)ethanol
CID 117113836
1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-4-yl]pyrrolidine
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1-anthracen-1-ylpiperidine
CID 87717909

Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-yl-3,4-dihydroisoquinoline?
The IUPAC name of 5-piperidin-1-yl-3,4-dihydroisoquinoline (CID 121348828) is 5-piperidin-1-yl-3,4-dihydroisoquinoline.
What is the SMILES notation for 5-piperidin-1-yl-3,4-dihydroisoquinoline?
The canonical SMILES for 5-piperidin-1-yl-3,4-dihydroisoquinoline is C1=NCCc2c1cccc2N1CCCCC1.
What is the InChIKey of 5-piperidin-1-yl-3,4-dihydroisoquinoline?
The InChIKey is IJDSYTSVSRGQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-9-16(10-3-1)14-6-4-5-12-11-15-8-7-13(12)14/h4-6,11H,1-3,7-10H2.
What are the key properties of 5-piperidin-1-yl-3,4-dihydroisoquinoline?
5-piperidin-1-yl-3,4-dihydroisoquinoline has a molecular weight of 214.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-yl-3,4-dihydroisoquinoline is sourced from PubChem (CID 121348828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).