1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine

C22H25N3 — CID 122444866

IUPAC1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cnc3ccccc3c2N2CCC(N)CC2)c1
InChIInChI=1S/C22H25N3/c1-15-11-16(2)13-17(12-15)20-14-24-21-6-4-3-5-19(21)22(20)25-9-7-18(23)8-10-25/h3-6,11-14,18H,7-10,23H2,1-2H3
InChIKeyPXMFLCMJLHVWNN-UHFFFAOYSA-N
MW331.46 g/mol
LogP4.45
Rot. Bonds2

About 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine

1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine (PubChem CID 122444866) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine
PubChem CID122444866
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC Name1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine
SMILESCc1cc(C)cc(-c2cnc3ccccc3c2N2CCC(N)CC2)c1
InChIInChI=1S/C22H25N3/c1-15-11-16(2)13-17(12-15)20-14-24-21-6-4-3-5-19(21)22(20)25-9-7-18(23)8-10-25/h3-6,11-14,18H,7-10,23H2,1-2H3
InChIKeyPXMFLCMJLHVWNN-UHFFFAOYSA-N
XLogP4.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine?
The IUPAC name of 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine (CID 122444866) is 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine?
The canonical SMILES for 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine is Cc1cc(C)cc(-c2cnc3ccccc3c2N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine?
The InChIKey is PXMFLCMJLHVWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-15-11-16(2)13-17(12-15)20-14-24-21-6-4-3-5-19(21)22(20)25-9-7-18(23)8-10-25/h3-6,11-14,18H,7-10,23H2,1-2H3.
What are the key properties of 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine?
1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine has a molecular weight of 331.46 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylphenyl)quinolin-4-yl]piperidin-4-amine is sourced from PubChem (CID 122444866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).