8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine

C21H24N4 — CID 129126397

IUPAC8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine
SMILESNCc1cccc2c(NC3CNCCC3c3ccccc3)ccnc12
InChIInChI=1S/C21H24N4/c22-13-16-7-4-8-18-19(10-12-24-21(16)18)25-20-14-23-11-9-17(20)15-5-2-1-3-6-15/h1-8,10,12,17,20,23H,9,11,13-14,22H2,(H,24,25)
InChIKeyOWTZRXZGHCYOMY-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.25
Rot. Bonds4

About 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine

8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine (PubChem CID 129126397) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine
PubChem CID129126397
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine
SMILESNCc1cccc2c(NC3CNCCC3c3ccccc3)ccnc12
InChIInChI=1S/C21H24N4/c22-13-16-7-4-8-18-19(10-12-24-21(16)18)25-20-14-23-11-9-17(20)15-5-2-1-3-6-15/h1-8,10,12,17,20,23H,9,11,13-14,22H2,(H,24,25)
InChIKeyOWTZRXZGHCYOMY-UHFFFAOYSA-N
XLogP3.25
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine?
The IUPAC name of 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine (CID 129126397) is 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine.
What is the SMILES notation for 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine?
The canonical SMILES for 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine is NCc1cccc2c(NC3CNCCC3c3ccccc3)ccnc12.
What is the InChIKey of 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine?
The InChIKey is OWTZRXZGHCYOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c22-13-16-7-4-8-18-19(10-12-24-21(16)18)25-20-14-23-11-9-17(20)15-5-2-1-3-6-15/h1-8,10,12,17,20,23H,9,11,13-14,22H2,(H,24,25).
What are the key properties of 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine?
8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine has a molecular weight of 332.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(aminomethyl)-N-(4-phenylpiperidin-3-yl)quinolin-4-amine is sourced from PubChem (CID 129126397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).