2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone

C14H20N2O2 — CID 170861083

IUPAC2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
SMILESNCC(=O)c1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-9-14(17)12-1-3-13(4-2-12)18-10-11-5-7-16-8-6-11/h1-4,11,16H,5-10,15H2
InChIKeyJPPSBHWCNOYBOX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.21
Rot. Bonds5

About 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone

2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone (PubChem CID 170861083) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
PubChem CID170861083
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone
SMILESNCC(=O)c1ccc(OCC2CCNCC2)cc1
InChIInChI=1S/C14H20N2O2/c15-9-14(17)12-1-3-13(4-2-12)18-10-11-5-7-16-8-6-11/h1-4,11,16H,5-10,15H2
InChIKeyJPPSBHWCNOYBOX-UHFFFAOYSA-N
XLogP1.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(pyrrolidin-3-ylmethoxy)phenyl]ethanone
CID 170861087
2-amino-1-[4-(2-piperidin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 170861062
2-methyl-4-(piperidin-4-ylmethoxy)benzamide
CID 81276896
carbonic acid;N-cyclohexyl-4-(piperidin-4-ylmethoxy)benzamide
CID 67802755
4-(piperidin-4-ylmethoxy)benzonitrile
CID 10560682
[4-(piperidin-4-ylmethoxy)phenyl] 2,2-dimethylpropanoate
CID 175326485
4-(piperidin-4-ylmethoxy)benzaldehyde
CID 154636749
4-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 23724366
4-[[4-(piperidin-4-ylmethoxy)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 67802753
2-[4-(piperidin-4-ylmethoxy)phenyl]ethanol
CID 113242079
1-[4-(cyclobutylmethoxy)phenyl]propan-1-one
CID 65459422
2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone
CID 170861053

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone (CID 170861083) is 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone is NCC(=O)c1ccc(OCC2CCNCC2)cc1.
What is the InChIKey of 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone?
The InChIKey is JPPSBHWCNOYBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-9-14(17)12-1-3-13(4-2-12)18-10-11-5-7-16-8-6-11/h1-4,11,16H,5-10,15H2.
What are the key properties of 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone?
2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(piperidin-4-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 170861083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).