3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine

C17H25N3 — CID 145101580

IUPAC3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(C2=NCCc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c18-9-3-11-20-12-7-15(8-13-20)17-16-5-2-1-4-14(16)6-10-19-17/h1-2,4-5,15H,3,6-13,18H2
InChIKeyONKSKOMOQRKJJL-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.09
Rot. Bonds4

About 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine

3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine (PubChem CID 145101580) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
PubChem CID145101580
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine
SMILESNCCCN1CCC(C2=NCCc3ccccc32)CC1
InChIInChI=1S/C17H25N3/c18-9-3-11-20-12-7-15(8-13-20)17-16-5-2-1-4-14(16)6-10-19-17/h1-2,4-5,15H,3,6-13,18H2
InChIKeyONKSKOMOQRKJJL-UHFFFAOYSA-N
XLogP2.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-(4-pyridin-2-ylpiperidin-1-yl)propan-1-amine
CID 91234805
4-(1-benzylpiperidin-4-yl)-6,7-dihydrothieno[3,2-c]pyridine
CID 22458206
ethane;3-(1-ethylpiperidin-4-yl)-1H-isoindole
CID 123203365
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)piperazin-1-yl]butan-1-amine
CID 22397692
2-[5-(4-phenylpiperidin-1-yl)pentyl]-4,5-dihydro-2-benzazepine-1,3-dione
CID 19813050
3-[4-(4-methoxyphenyl)piperidin-1-yl]propan-1-amine
CID 94689546
1-[(2R)-oxolan-2-yl]-3,4-dihydroisoquinoline
CID 914243
4-(1,3-dihydroisoindol-2-yl)butan-1-amine
CID 62205174
3-[1-(4-aminobutyl)piperidin-4-yl]aniline
CID 54467762
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine (CID 145101580) is 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine is NCCCN1CCC(C2=NCCc3ccccc32)CC1.
What is the InChIKey of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
The InChIKey is ONKSKOMOQRKJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c18-9-3-11-20-12-7-15(8-13-20)17-16-5-2-1-4-14(16)6-10-19-17/h1-2,4-5,15H,3,6-13,18H2.
What are the key properties of 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine?
3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dihydroisoquinolin-1-yl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 145101580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).