N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride

C25H33Cl2N3 — CID 122554547

IUPACN,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCCN(CC)C1CCN(Cc2cc(-c3ccccc3)nc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C25H31N3.2ClH/c1-3-28(4-2)22-14-16-27(17-15-22)19-21-18-25(20-10-6-5-7-11-20)26-24-13-9-8-12-23(21)24;;/h5-13,18,22H,3-4,14-17,19H2,1-2H3;2*1H
InChIKeyPJBJWANZTBQHRZ-UHFFFAOYSA-N
MW446.47 g/mol
LogP6.05
Rot. Bonds6

About N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride

N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride (PubChem CID 122554547) has the molecular formula C25H33Cl2N3 and a molecular weight of 446.47 g/mol. Its IUPAC name is N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
PubChem CID122554547
Molecular FormulaC25H33Cl2N3
Molecular Weight446.47 g/mol
Exact Mass445.21
IUPAC NameN,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride
SMILESCCN(CC)C1CCN(Cc2cc(-c3ccccc3)nc3ccccc23)CC1.Cl.Cl
InChIInChI=1S/C25H31N3.2ClH/c1-3-28(4-2)22-14-16-27(17-15-22)19-21-18-25(20-10-6-5-7-11-20)26-24-13-9-8-12-23(21)24;;/h5-13,18,22H,3-4,14-17,19H2,1-2H3;2*1H
InChIKeyPJBJWANZTBQHRZ-UHFFFAOYSA-N
XLogP6.05
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.47
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride?
The IUPAC name of N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride (CID 122554547) is N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride.
What is the SMILES notation for N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride?
The canonical SMILES for N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride is CCN(CC)C1CCN(Cc2cc(-c3ccccc3)nc3ccccc23)CC1.Cl.Cl.
What is the InChIKey of N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride?
The InChIKey is PJBJWANZTBQHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3.2ClH/c1-3-28(4-2)22-14-16-27(17-15-22)19-21-18-25(20-10-6-5-7-11-20)26-24-13-9-8-12-23(21)24;;/h5-13,18,22H,3-4,14-17,19H2,1-2H3;2*1H.
What are the key properties of N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride?
N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride has a molecular weight of 446.47 g/mol, XLogP of 6.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[(2-phenylquinolin-4-yl)methyl]piperidin-4-amine;dihydrochloride is sourced from PubChem (CID 122554547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).