3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C18H28N2 — CID 83056110

IUPAC3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1CCCCN1CC1Cc2ccccc2CN1
InChIInChI=1S/C18H28N2/c1-2-7-18-10-5-6-11-20(18)14-17-12-15-8-3-4-9-16(15)13-19-17/h3-4,8-9,17-19H,2,5-7,10-14H2,1H3
InChIKeyHKHZPDJRKSVBQV-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.36
Rot. Bonds4

About 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 83056110) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID83056110
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCCC1CCCCN1CC1Cc2ccccc2CN1
InChIInChI=1S/C18H28N2/c1-2-7-18-10-5-6-11-20(18)14-17-12-15-8-3-4-9-16(15)13-19-17/h3-4,8-9,17-19H,2,5-7,10-14H2,1H3
InChIKeyHKHZPDJRKSVBQV-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 83056110) is 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CCCC1CCCCN1CC1Cc2ccccc2CN1.
What is the InChIKey of 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HKHZPDJRKSVBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-7-18-10-5-6-11-20(18)14-17-12-15-8-3-4-9-16(15)13-19-17/h3-4,8-9,17-19H,2,5-7,10-14H2,1H3.
What are the key properties of 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 272.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-propylpiperidin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 83056110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).