N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine

C18H23N3 — CID 43281135

IUPACN-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2nc(N3CCCCC3)c(CNC3CC3)cc2c1
InChIInChI=1S/C18H23N3/c1-4-10-21(11-5-1)18-15(13-19-16-8-9-16)12-14-6-2-3-7-17(14)20-18/h2-3,6-7,12,16,19H,1,4-5,8-11,13H2
InChIKeyFTAPGNJWOLMJSF-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.48
Rot. Bonds4

About N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine

N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine (PubChem CID 43281135) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
PubChem CID43281135
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine
SMILESc1ccc2nc(N3CCCCC3)c(CNC3CC3)cc2c1
InChIInChI=1S/C18H23N3/c1-4-10-21(11-5-1)18-15(13-19-16-8-9-16)12-14-6-2-3-7-17(14)20-18/h2-3,6-7,12,16,19H,1,4-5,8-11,13H2
InChIKeyFTAPGNJWOLMJSF-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]piperidin-4-amine
CID 119106658
N-[(2-thiomorpholin-4-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43281437
N-methyl-1-(2-piperidin-1-ylquinolin-3-yl)methanamine
CID 43281139
1-[2-(azocan-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 43281388
2-(azocan-1-yl)-3-(bromomethyl)quinoline
CID 107079697
2-[(2-piperidin-1-ylquinolin-3-yl)methylamino]propane-1,3-diol
CID 146125966
N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43282124
1-[2-(methoxymethyl)phenyl]-N-[(2-piperidin-1-ylquinolin-3-yl)methyl]methanamine
CID 119106670
1-(2-piperidin-1-ylquinolin-3-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)methanamine
CID 119106622
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
N-[(1-pyrrolidin-1-ylisoquinolin-3-yl)methyl]cyclopropanamine
CID 62286266
N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylquinolin-2-amine
CID 43281662

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine (CID 43281135) is N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine is c1ccc2nc(N3CCCCC3)c(CNC3CC3)cc2c1.
What is the InChIKey of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine?
The InChIKey is FTAPGNJWOLMJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-4-10-21(11-5-1)18-15(13-19-16-8-9-16)12-14-6-2-3-7-17(14)20-18/h2-3,6-7,12,16,19H,1,4-5,8-11,13H2.
What are the key properties of N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine?
N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine has a molecular weight of 281.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-ylquinolin-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 43281135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).