4-tert-butyl-7-piperidin-2-ylisoquinoline

C18H24N2 — CID 117424916

IUPAC4-tert-butyl-7-piperidin-2-ylisoquinoline
SMILESCC(C)(C)c1cncc2cc(C3CCCCN3)ccc12
InChIInChI=1S/C18H24N2/c1-18(2,3)16-12-19-11-14-10-13(7-8-15(14)16)17-6-4-5-9-20-17/h7-8,10-12,17,20H,4-6,9H2,1-3H3
InChIKeyGVGYTZIHPJOYKR-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.35
Rot. Bonds1

About 4-tert-butyl-7-piperidin-2-ylisoquinoline

4-tert-butyl-7-piperidin-2-ylisoquinoline (PubChem CID 117424916) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 4-tert-butyl-7-piperidin-2-ylisoquinoline.

Molecular Properties

Compound Name4-tert-butyl-7-piperidin-2-ylisoquinoline
PubChem CID117424916
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name4-tert-butyl-7-piperidin-2-ylisoquinoline
SMILESCC(C)(C)c1cncc2cc(C3CCCCN3)ccc12
InChIInChI=1S/C18H24N2/c1-18(2,3)16-12-19-11-14-10-13(7-8-15(14)16)17-6-4-5-9-20-17/h7-8,10-12,17,20H,4-6,9H2,1-3H3
InChIKeyGVGYTZIHPJOYKR-UHFFFAOYSA-N
XLogP4.35
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-7-(piperidin-2-ylmethyl)isoquinoline
CID 117454055
2-(4-tert-butylphenyl)piperidine
CID 4137790
3-methyl-7-piperidin-2-ylisoquinoline
CID 117325813
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
3-methyl-5-[(2R)-piperidin-2-yl]pyridine
CID 96741558
5-methyl-7-piperidin-2-ylpyrido[4,3-b]indole
CID 116986169
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
7-(piperidin-2-ylmethyl)-4-(trifluoromethyl)isoquinoline
CID 117474742
2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
6-piperidin-2-ylquinoxaline
CID 171487792
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-7-piperidin-2-ylisoquinoline?
The IUPAC name of 4-tert-butyl-7-piperidin-2-ylisoquinoline (CID 117424916) is 4-tert-butyl-7-piperidin-2-ylisoquinoline.
What is the SMILES notation for 4-tert-butyl-7-piperidin-2-ylisoquinoline?
The canonical SMILES for 4-tert-butyl-7-piperidin-2-ylisoquinoline is CC(C)(C)c1cncc2cc(C3CCCCN3)ccc12.
What is the InChIKey of 4-tert-butyl-7-piperidin-2-ylisoquinoline?
The InChIKey is GVGYTZIHPJOYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-18(2,3)16-12-19-11-14-10-13(7-8-15(14)16)17-6-4-5-9-20-17/h7-8,10-12,17,20H,4-6,9H2,1-3H3.
What are the key properties of 4-tert-butyl-7-piperidin-2-ylisoquinoline?
4-tert-butyl-7-piperidin-2-ylisoquinoline has a molecular weight of 268.40 g/mol, XLogP of 4.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-7-piperidin-2-ylisoquinoline is sourced from PubChem (CID 117424916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).