2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline

C27H26N2 — CID 23497657

IUPAC2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline
SMILESc1ccc(-c2nc3ccccc3cc2CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H26N2/c1-3-9-21(10-4-1)22-15-17-29(18-16-22)20-25-19-24-13-7-8-14-26(24)28-27(25)23-11-5-2-6-12-23/h1-14,19,22H,15-18,20H2
InChIKeyFNCUMFKDCWADPV-UHFFFAOYSA-N
MW378.52 g/mol
LogP6.28
Rot. Bonds4

About 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline

2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline (PubChem CID 23497657) has the molecular formula C27H26N2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline
PubChem CID23497657
Molecular FormulaC27H26N2
Molecular Weight378.52 g/mol
Exact Mass378.21
IUPAC Name2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline
SMILESc1ccc(-c2nc3ccccc3cc2CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C27H26N2/c1-3-9-21(10-4-1)22-15-17-29(18-16-22)20-25-19-24-13-7-8-14-26(24)28-27(25)23-11-5-2-6-12-23/h1-14,19,22H,15-18,20H2
InChIKeyFNCUMFKDCWADPV-UHFFFAOYSA-N
XLogP6.28
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-phenylquinolin-3-yl)methyl]piperidin-4-one
CID 69443099
[2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinolin-4-yl] acetate
CID 174440958
2-phenyl-6-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863623
2-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyridine
CID 19863538
3-[(4-ethylpiperidin-1-yl)methyl]quinolin-2-amine
CID 62207764
[3-[(4-methylpiperidin-1-yl)methyl]quinolin-2-yl]hydrazine
CID 62246122
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-[(4-phenylpiperidin-1-yl)methyl]-4-pyridin-2-ylphenol
CID 135906345
3-(pyrrolidin-1-ylmethyl)quinolin-2-amine
CID 55046492
2-chloro-3-[(4-propylpiperidin-1-yl)methyl]quinoline
CID 63479216
2-[4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline
CID 51049790
1,7-dimethyl-2-[(4-phenylpiperidin-1-yl)methyl]benzimidazole
CID 24849559

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline?
The IUPAC name of 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline (CID 23497657) is 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline.
What is the SMILES notation for 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline?
The canonical SMILES for 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline is c1ccc(-c2nc3ccccc3cc2CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline?
The InChIKey is FNCUMFKDCWADPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2/c1-3-9-21(10-4-1)22-15-17-29(18-16-22)20-25-19-24-13-7-8-14-26(24)28-27(25)23-11-5-2-6-12-23/h1-14,19,22H,15-18,20H2.
What are the key properties of 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline?
2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline has a molecular weight of 378.52 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(4-phenylpiperidin-1-yl)methyl]quinoline is sourced from PubChem (CID 23497657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).