8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline

C18H24N2 — CID 177291811

IUPAC8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline
SMILESCC(C)c1nccc2cccc(CN3CCCCC3)c12
InChIInChI=1S/C18H24N2/c1-14(2)18-17-15(9-10-19-18)7-6-8-16(17)13-20-11-4-3-5-12-20/h6-10,14H,3-5,11-13H2,1-2H3
InChIKeyVWZCKCDRGMYOGB-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.34
Rot. Bonds3

About 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline

8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline (PubChem CID 177291811) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline.

Molecular Properties

Compound Name8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline
PubChem CID177291811
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline
SMILESCC(C)c1nccc2cccc(CN3CCCCC3)c12
InChIInChI=1S/C18H24N2/c1-14(2)18-17-15(9-10-19-18)7-6-8-16(17)13-20-11-4-3-5-12-20/h6-10,14H,3-5,11-13H2,1-2H3
InChIKeyVWZCKCDRGMYOGB-UHFFFAOYSA-N
XLogP4.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,8-di(propan-2-yl)isoquinoline
CID 170669302
2-methyl-3-(pyrrolidin-1-ylmethyl)pyridine
CID 130158747
3-(piperidin-1-ylmethyl)pyridin-2-amine
CID 18771814
2-[[8-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methyl]isoindole-1,3-dione
CID 139958917
2-(pyrrolidin-1-ylmethyl)benzenethiol
CID 46785608
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]hydroxylamine
CID 117314853
1-(2-ethylpyrimidin-4-yl)-N-methyl-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 77090196
3-(pyrrolidin-1-ylmethyl)pyridin-2-amine
CID 62470567
2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
CID 58278816
N-(naphthalen-1-ylmethyl)-1-[2-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 56809382
2-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1-propan-2-ylguanidine;hydroiodide
CID 111036655
2-(piperidin-1-ylmethyl)pyrimidin-4-amine
CID 82278529

Frequently Asked Questions

What is the IUPAC name of 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline?
The IUPAC name of 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline (CID 177291811) is 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline.
What is the SMILES notation for 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline?
The canonical SMILES for 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline is CC(C)c1nccc2cccc(CN3CCCCC3)c12.
What is the InChIKey of 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline?
The InChIKey is VWZCKCDRGMYOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-14(2)18-17-15(9-10-19-18)7-6-8-16(17)13-20-11-4-3-5-12-20/h6-10,14H,3-5,11-13H2,1-2H3.
What are the key properties of 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline?
8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline has a molecular weight of 268.40 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(piperidin-1-ylmethyl)-1-propan-2-ylisoquinoline is sourced from PubChem (CID 177291811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).