1-piperidin-3-ylisoquinoline

C14H16N2 — CID 84782419

IUPAC1-piperidin-3-ylisoquinoline
SMILESc1ccc2c(C3CCCNC3)nccc2c1
InChIInChI=1S/C14H16N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-2,4,6-7,9,12,15H,3,5,8,10H2
InChIKeyAUWYAMXPTPJNTH-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.70
Rot. Bonds1

About 1-piperidin-3-ylisoquinoline

1-piperidin-3-ylisoquinoline (PubChem CID 84782419) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-piperidin-3-ylisoquinoline.

Molecular Properties

Compound Name1-piperidin-3-ylisoquinoline
PubChem CID84782419
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name1-piperidin-3-ylisoquinoline
SMILESc1ccc2c(C3CCCNC3)nccc2c1
InChIInChI=1S/C14H16N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-2,4,6-7,9,12,15H,3,5,8,10H2
InChIKeyAUWYAMXPTPJNTH-UHFFFAOYSA-N
XLogP2.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloundecylisoquinoline
CID 137392148
1-(azetidin-2-yl)isoquinoline
CID 55293778
4-isoquinolin-1-ylcyclohexan-1-ol
CID 116995245
3-(1-bromonaphthalen-2-yl)piperidine
CID 165357301
8-fluoro-4-piperidin-3-ylquinazoline
CID 105489373
2-(2-fluorophenyl)-3-[(3R)-piperidin-3-yl]pyrazine
CID 95816643
1-(1-methylpiperidin-4-yl)isoquinoline;dihydrochloride
CID 173450913
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
5-(1-methylnaphthalen-2-yl)-2-piperidin-3-ylpyrimidine
CID 166275085
2-(2-methoxyphenyl)-3-[(3S)-piperidin-3-yl]pyrazine
CID 95816648
6-pyrrolidin-3-yl-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinoline
CID 116995476

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-3-ylisoquinoline?
The IUPAC name of 1-piperidin-3-ylisoquinoline (CID 84782419) is 1-piperidin-3-ylisoquinoline.
What is the SMILES notation for 1-piperidin-3-ylisoquinoline?
The canonical SMILES for 1-piperidin-3-ylisoquinoline is c1ccc2c(C3CCCNC3)nccc2c1.
What is the InChIKey of 1-piperidin-3-ylisoquinoline?
The InChIKey is AUWYAMXPTPJNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-6-13-11(4-1)7-9-16-14(13)12-5-3-8-15-10-12/h1-2,4,6-7,9,12,15H,3,5,8,10H2.
What are the key properties of 1-piperidin-3-ylisoquinoline?
1-piperidin-3-ylisoquinoline has a molecular weight of 212.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-3-ylisoquinoline is sourced from PubChem (CID 84782419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).