2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine

C22H30N2O — CID 110452589

IUPAC2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O/c1-23(2)16-17-25-22-10-8-21(9-11-22)24-14-12-20(13-15-24)18-19-6-4-3-5-7-19/h3-11,20H,12-18H2,1-2H3
InChIKeyFIUCZUHXUMBEOW-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.09
Rot. Bonds7

About 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine

2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine (PubChem CID 110452589) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine
PubChem CID110452589
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC Name2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine
SMILESCN(C)CCOc1ccc(N2CCC(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C22H30N2O/c1-23(2)16-17-25-22-10-8-21(9-11-22)24-14-12-20(13-15-24)18-19-6-4-3-5-7-19/h3-11,20H,12-18H2,1-2H3
InChIKeyFIUCZUHXUMBEOW-UHFFFAOYSA-N
XLogP4.09
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
N,N-dimethyl-2-(4-morpholin-4-ylphenoxy)ethanamine
CID 82538142
4-benzyl-1-[4-(dimethylsulfamoylamino)phenyl]piperidine
CID 112985417
4-benzyl-1-[4-(bromomethyl)phenyl]piperidine
CID 107079799
N,N-dimethyl-2-[4-[(4-phenyl-1,4-diazepan-1-yl)methyl]phenoxy]ethanamine
CID 131943317
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
1-[4-(4-benzylpiperidin-1-yl)phenyl]ethanone
CID 39402702
4-[2-(4-benzylpiperidin-1-yl)ethoxy]phenol
CID 10086803
4-benzyl-1-(3,4-dimethoxyphenyl)piperidine
CID 110452584
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
1-(4-benzylpiperidin-1-yl)-4-(4-methylphenoxy)butan-1-one
CID 124749146
N-(2-phenylethyl)-1-(4-phenylmethoxyphenyl)-N-[1-(4-phenylmethoxyphenyl)piperidin-4-yl]piperidin-4-amine
CID 70224263

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine (CID 110452589) is 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine is CN(C)CCOc1ccc(N2CCC(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine?
The InChIKey is FIUCZUHXUMBEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c1-23(2)16-17-25-22-10-8-21(9-11-22)24-14-12-20(13-15-24)18-19-6-4-3-5-7-19/h3-11,20H,12-18H2,1-2H3.
What are the key properties of 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine?
2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine has a molecular weight of 338.50 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-benzylpiperidin-1-yl)phenoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 110452589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).