8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine

C16H21N3 — CID 43375420

IUPAC8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
SMILESCC1CCN(Cc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C16H21N3/c1-12-6-9-19(10-7-12)11-13-4-5-15(17)14-3-2-8-18-16(13)14/h2-5,8,12H,6-7,9-11,17H2,1H3
InChIKeyXNFXHJJLTISMSC-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.05
Rot. Bonds2

About 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine

8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine (PubChem CID 43375420) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine.

Molecular Properties

Compound Name8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
PubChem CID43375420
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine
SMILESCC1CCN(Cc2ccc(N)c3cccnc23)CC1
InChIInChI=1S/C16H21N3/c1-12-6-9-19(10-7-12)11-13-4-5-15(17)14-3-2-8-18-16(13)14/h2-5,8,12H,6-7,9-11,17H2,1H3
InChIKeyXNFXHJJLTISMSC-UHFFFAOYSA-N
XLogP3.05
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

8-[[4-(dimethylamino)piperidin-1-yl]methyl]quinolin-5-amine
CID 43585624
1-[1-[(5-aminoquinolin-8-yl)methyl]piperidin-4-yl]ethanol
CID 106835491
1-[(5-aminoquinolin-8-yl)methyl]-3-methylpiperidin-4-ol
CID 114677852
8-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-ylmethyl)quinolin-5-amine
CID 63015654
4-[[2-[(4-methylpiperidin-1-yl)methyl]-4-pyridinyl]methyl]naphthalen-1-amine
CID 142179583
8-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]quinolin-5-amine
CID 102882733
1-[(5-aminoquinolin-8-yl)methyl]-3-methylimidazolidin-2-one
CID 62490120
8-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]quinolin-5-amine
CID 43375606
1-[(5-chloroquinolin-8-yl)methyl]-4-methylpiperidin-3-amine
CID 115959704
1-[1-[(5-fluoroquinolin-8-yl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63249000
3-[(4-methylpiperidin-1-yl)methyl]pyridine-2-carboxylic acid
CID 55145932
4-[(5-aminoquinolin-8-yl)methyl]morpholine-3,5-dione
CID 61311549

Frequently Asked Questions

What is the IUPAC name of 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine?
The IUPAC name of 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine (CID 43375420) is 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine.
What is the SMILES notation for 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine?
The canonical SMILES for 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine is CC1CCN(Cc2ccc(N)c3cccnc23)CC1.
What is the InChIKey of 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine?
The InChIKey is XNFXHJJLTISMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-6-9-19(10-7-12)11-13-4-5-15(17)14-3-2-8-18-16(13)14/h2-5,8,12H,6-7,9-11,17H2,1H3.
What are the key properties of 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine?
8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine has a molecular weight of 255.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4-methylpiperidin-1-yl)methyl]quinolin-5-amine is sourced from PubChem (CID 43375420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).