3-piperidin-2-ylisoquinoline

C14H16N2 — CID 84782420

IUPAC3-piperidin-2-ylisoquinoline
SMILESc1ccc2cc(C3CCCCN3)ncc2c1
InChIInChI=1S/C14H16N2/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15-13/h1-2,5-6,9-10,13,15H,3-4,7-8H2
InChIKeyMNXQMLLMNUAFBF-UHFFFAOYSA-N
MW212.30 g/mol
LogP3.05
Rot. Bonds1

About 3-piperidin-2-ylisoquinoline

3-piperidin-2-ylisoquinoline (PubChem CID 84782420) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 3-piperidin-2-ylisoquinoline.

Molecular Properties

Compound Name3-piperidin-2-ylisoquinoline
PubChem CID84782420
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name3-piperidin-2-ylisoquinoline
SMILESc1ccc2cc(C3CCCCN3)ncc2c1
InChIInChI=1S/C14H16N2/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15-13/h1-2,5-6,9-10,13,15H,3-4,7-8H2
InChIKeyMNXQMLLMNUAFBF-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-4-yl)isoquinoline
CID 57157960
5-bromo-4-methyl-2-[(2R)-piperidin-2-yl]pyridine
CID 130618198
(2S)-2-phenylpiperidine
CID 10997356
3-pyrrolidin-3-ylisoquinoline
CID 84774980
5-bromo-2-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194911
2-[(2R)-pyrrolidin-2-yl]pyridine
CID 7141590
2-[(2S)-piperidin-2-yl]pyridine-4-carboxylic acid
CID 97046760
2-pyrrolidin-2-ylbenzo[g]quinoline-4-carboxylic acid
CID 134103584
3-methyl-7-piperidin-2-ylisoquinoline
CID 117325813
7-piperidin-2-ylquinoline
CID 81224004
6-[(2S)-pyrrolidin-2-yl]pyridin-2-amine
CID 55274090
6-[(2S)-pyrrolidin-2-yl]pyridin-3-ol
CID 55275999

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-ylisoquinoline?
The IUPAC name of 3-piperidin-2-ylisoquinoline (CID 84782420) is 3-piperidin-2-ylisoquinoline.
What is the SMILES notation for 3-piperidin-2-ylisoquinoline?
The canonical SMILES for 3-piperidin-2-ylisoquinoline is c1ccc2cc(C3CCCCN3)ncc2c1.
What is the InChIKey of 3-piperidin-2-ylisoquinoline?
The InChIKey is MNXQMLLMNUAFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-6-12-10-16-14(9-11(12)5-1)13-7-3-4-8-15-13/h1-2,5-6,9-10,13,15H,3-4,7-8H2.
What are the key properties of 3-piperidin-2-ylisoquinoline?
3-piperidin-2-ylisoquinoline has a molecular weight of 212.30 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-ylisoquinoline is sourced from PubChem (CID 84782420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).