2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone

C14H18ClFN2O2 — CID 84755487

IUPAC2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(OCc2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H18ClFN2O2/c15-11-4-3-10(13(16)6-11)9-20-12-2-1-5-18(8-12)14(19)7-17/h3-4,6,12H,1-2,5,7-9,17H2
InChIKeyNKEVNJLDMRYBBP-UHFFFAOYSA-N
MW300.76 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone

2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone (PubChem CID 84755487) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
PubChem CID84755487
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCCC(OCc2ccc(Cl)cc2F)C1
InChIInChI=1S/C14H18ClFN2O2/c15-11-4-3-10(13(16)6-11)9-20-12-2-1-5-18(8-12)14(19)7-17/h3-4,6,12H,1-2,5,7-9,17H2
InChIKeyNKEVNJLDMRYBBP-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenoxy)-1-[(3R)-3-[(2,4-difluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 93223519
1-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 93223160
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]-2-phenylethanone
CID 46028682
1-[3-[(2-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42656380
(2-chlorophenyl)-[(3S)-3-[(2-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 93223153
2-(4-chloro-2-fluorophenyl)-1-pyrrolidin-1-ylethanone
CID 56923362
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
1-[(3S)-3-[(3-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223396
1-[(3S)-3-[(2-chlorophenyl)methoxy]piperidin-1-yl]propan-1-one
CID 93223488
5-[[1-(2-aminoacetyl)piperidin-3-yl]oxymethyl]furan-2-carboxylic acid
CID 84755464
2-(4-chlorophenoxy)-1-[3-[(2-chlorophenyl)methoxy]piperidin-1-yl]ethanone
CID 46028843
2-(4-chlorophenoxy)-1-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]ethanone
CID 42844150

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone (CID 84755487) is 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone is NCC(=O)N1CCCC(OCc2ccc(Cl)cc2F)C1.
What is the InChIKey of 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
The InChIKey is NKEVNJLDMRYBBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c15-11-4-3-10(13(16)6-11)9-20-12-2-1-5-18(8-12)14(19)7-17/h3-4,6,12H,1-2,5,7-9,17H2.
What are the key properties of 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone?
2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone has a molecular weight of 300.76 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-[(4-chloro-2-fluorophenyl)methoxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 84755487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).