2-isoquinolin-4-yl-1-propylpiperidin-3-amine

C17H23N3 — CID 104505167

IUPAC2-isoquinolin-4-yl-1-propylpiperidin-3-amine
SMILESCCCN1CCCC(N)C1c1cncc2ccccc12
InChIInChI=1S/C17H23N3/c1-2-9-20-10-5-8-16(18)17(20)15-12-19-11-13-6-3-4-7-14(13)15/h3-4,6-7,11-12,16-17H,2,5,8-10,18H2,1H3
InChIKeyPYCKAQXDJKPNHR-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.11
Rot. Bonds3

About 2-isoquinolin-4-yl-1-propylpiperidin-3-amine

2-isoquinolin-4-yl-1-propylpiperidin-3-amine (PubChem CID 104505167) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-isoquinolin-4-yl-1-propylpiperidin-3-amine.

Molecular Properties

Compound Name2-isoquinolin-4-yl-1-propylpiperidin-3-amine
PubChem CID104505167
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-isoquinolin-4-yl-1-propylpiperidin-3-amine
SMILESCCCN1CCCC(N)C1c1cncc2ccccc12
InChIInChI=1S/C17H23N3/c1-2-9-20-10-5-8-16(18)17(20)15-12-19-11-13-6-3-4-7-14(13)15/h3-4,6-7,11-12,16-17H,2,5,8-10,18H2,1H3
InChIKeyPYCKAQXDJKPNHR-UHFFFAOYSA-N
XLogP3.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-isoquinolin-4-yl-1-propylpyrrolidin-3-yl)-N-methylmethanamine
CID 104505134
2-isoquinolin-4-yl-1-methylpyrrolidin-3-amine
CID 104505164
2-isoquinolin-4-ylcyclohexan-1-amine
CID 63938244
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
4-amino-1-ethyl-5-isoquinolin-4-ylpyrrolidin-2-one
CID 104505155
2-(2-fluoro-5-methylphenyl)-1-propylpiperidin-3-amine
CID 114055150
2-(2-cyclopropylphenyl)-1-ethylpiperidin-3-amine
CID 79977584
(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
CID 178196697
4-isoquinolin-4-ylcyclohexan-1-amine
CID 83261369
2-(5-chloroquinolin-8-yl)-1-propylpyrrolidin-3-amine
CID 115960452
1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 114488962

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-yl-1-propylpiperidin-3-amine?
The IUPAC name of 2-isoquinolin-4-yl-1-propylpiperidin-3-amine (CID 104505167) is 2-isoquinolin-4-yl-1-propylpiperidin-3-amine.
What is the SMILES notation for 2-isoquinolin-4-yl-1-propylpiperidin-3-amine?
The canonical SMILES for 2-isoquinolin-4-yl-1-propylpiperidin-3-amine is CCCN1CCCC(N)C1c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-yl-1-propylpiperidin-3-amine?
The InChIKey is PYCKAQXDJKPNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-9-20-10-5-8-16(18)17(20)15-12-19-11-13-6-3-4-7-14(13)15/h3-4,6-7,11-12,16-17H,2,5,8-10,18H2,1H3.
What are the key properties of 2-isoquinolin-4-yl-1-propylpiperidin-3-amine?
2-isoquinolin-4-yl-1-propylpiperidin-3-amine has a molecular weight of 269.39 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-yl-1-propylpiperidin-3-amine is sourced from PubChem (CID 104505167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).