4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile

C23H23N3O — CID 70274027

IUPAC4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile
SMILESCc1cc(OC2CCN(Cc3ccccc3)CC2)c2cc(C#N)ccc2n1
InChIInChI=1S/C23H23N3O/c1-17-13-23(21-14-19(15-24)7-8-22(21)25-17)27-20-9-11-26(12-10-20)16-18-5-3-2-4-6-18/h2-8,13-14,20H,9-12,16H2,1H3
InChIKeyLIBFQTLPDIBDOX-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.46
Rot. Bonds4

About 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile

4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile (PubChem CID 70274027) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile.

Molecular Properties

Compound Name4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile
PubChem CID70274027
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile
SMILESCc1cc(OC2CCN(Cc3ccccc3)CC2)c2cc(C#N)ccc2n1
InChIInChI=1S/C23H23N3O/c1-17-13-23(21-14-19(15-24)7-8-22(21)25-17)27-20-9-11-26(12-10-20)16-18-5-3-2-4-6-18/h2-8,13-14,20H,9-12,16H2,1H3
InChIKeyLIBFQTLPDIBDOX-UHFFFAOYSA-N
XLogP4.46
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methylquinolin-4-yl)oxypiperidin-1-yl]acetic acid
CID 58948368
4-(1-benzylpyrrolidin-3-yl)oxybenzonitrile
CID 62917204
3-[(1-benzylpiperidin-4-yl)amino]-4-fluorobenzonitrile
CID 21015031
4-(1-benzylpiperidin-4-yl)benzonitrile
CID 70029902
2-(1-benzylpiperidin-4-yl)-1,3-dihydroisoindole-5-carbonitrile
CID 94778714
4-(1-benzylpiperidin-4-yl)oxy-8-fluoro-2-(trifluoromethyl)quinoline
CID 2823567
3-fluoro-4-[1-[(1-oxo-2H-isoquinolin-4-yl)methyl]piperidin-4-yl]oxybenzonitrile
CID 166265313
4-[[4-(4-cyanophenoxy)piperidin-1-yl]methyl]benzoic acid
CID 122028993
4-[(1-benzylpiperidin-4-yl)amino]-3-nitrobenzonitrile
CID 16558687
5-[[4-(8-fluoro-2-methylquinolin-4-yl)oxypiperidin-1-yl]methyl]-2-hydroxybenzoic acid
CID 25144595
2-fluoro-5-[[4-[(2-methylquinolin-4-yl)methyl]piperidin-1-yl]methyl]benzonitrile
CID 70273799
2-N,4-N-bis(1-benzylpiperidin-4-yl)-6-methylpyrimidine-2,4-diamine
CID 117084915

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile?
The IUPAC name of 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile (CID 70274027) is 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile.
What is the SMILES notation for 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile?
The canonical SMILES for 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile is Cc1cc(OC2CCN(Cc3ccccc3)CC2)c2cc(C#N)ccc2n1.
What is the InChIKey of 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile?
The InChIKey is LIBFQTLPDIBDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-13-23(21-14-19(15-24)7-8-22(21)25-17)27-20-9-11-26(12-10-20)16-18-5-3-2-4-6-18/h2-8,13-14,20H,9-12,16H2,1H3.
What are the key properties of 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile?
4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpiperidin-4-yl)oxy-2-methylquinoline-6-carbonitrile is sourced from PubChem (CID 70274027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).