N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine

C20H22N4 — CID 175494124

IUPACN-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
SMILESCNC1CCN(c2cccc(-c3cnc4ccccc4c3)n2)CC1
InChIInChI=1S/C20H22N4/c1-21-17-9-11-24(12-10-17)20-8-4-7-19(23-20)16-13-15-5-2-3-6-18(15)22-14-16/h2-8,13-14,17,21H,9-12H2,1H3
InChIKeyDDYZCMMVWMDGKG-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.48
Rot. Bonds3

About N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine

N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine (PubChem CID 175494124) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
PubChem CID175494124
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine
SMILESCNC1CCN(c2cccc(-c3cnc4ccccc4c3)n2)CC1
InChIInChI=1S/C20H22N4/c1-21-17-9-11-24(12-10-17)20-8-4-7-19(23-20)16-13-15-5-2-3-6-18(15)22-14-16/h2-8,13-14,17,21H,9-12H2,1H3
InChIKeyDDYZCMMVWMDGKG-UHFFFAOYSA-N
XLogP3.48
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine (CID 175494124) is N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine is CNC1CCN(c2cccc(-c3cnc4ccccc4c3)n2)CC1.
What is the InChIKey of N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine?
The InChIKey is DDYZCMMVWMDGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-21-17-9-11-24(12-10-17)20-8-4-7-19(23-20)16-13-15-5-2-3-6-18(15)22-14-16/h2-8,13-14,17,21H,9-12H2,1H3.
What are the key properties of N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine?
N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(6-quinolin-3-yl-2-pyridinyl)piperidin-4-amine is sourced from PubChem (CID 175494124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).