methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate

C16H24FNO2 — CID 78582440

IUPACmethane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
SMILESC.COC(=O)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C15H20FNO2.CH4/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-4-2-3-5-14(13)16;/h2-5,12H,6-11H2,1H3;1H4
InChIKeyDAOOGEACTVKHCJ-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.24
Rot. Bonds4

About methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate

methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate (PubChem CID 78582440) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate.

Molecular Properties

Compound Namemethane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
PubChem CID78582440
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Namemethane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate
SMILESC.COC(=O)CC1CCN(Cc2ccccc2F)CC1
InChIInChI=1S/C15H20FNO2.CH4/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-4-2-3-5-14(13)16;/h2-5,12H,6-11H2,1H3;1H4
InChIKeyDAOOGEACTVKHCJ-UHFFFAOYSA-N
XLogP3.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methane;methyl 2-(1-benzylpiperidin-4-yl)acetate
CID 78582433
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methoxyethanamine;hydrochloride
CID 156595577
methyl 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetate
CID 17221672
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
methyl 2-[[4-(2-amino-2-oxoethyl)piperidin-1-yl]methyl]benzoate
CID 82957081
1-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 25249290
1-[(2-fluorophenyl)methyl]piperidin-4-ol
CID 10242192
4-chloro-1-[(2-fluorophenyl)methyl]piperidine
CID 63389364
N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 86786241
2-[1-[(2,3-difluorophenyl)methyl]piperidin-4-yl]acetic acid
CID 79606347
methyl 2-[1-[(4-bromophenyl)methyl]piperidin-4-yl]acetate
CID 83983260
N-[[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methyl]-2-methylpropan-1-amine
CID 55081574

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate?
The IUPAC name of methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate (CID 78582440) is methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate.
What is the SMILES notation for methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate?
The canonical SMILES for methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate is C.COC(=O)CC1CCN(Cc2ccccc2F)CC1.
What is the InChIKey of methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate?
The InChIKey is DAOOGEACTVKHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2.CH4/c1-19-15(18)10-12-6-8-17(9-7-12)11-13-4-2-3-5-14(13)16;/h2-5,12H,6-11H2,1H3;1H4.
What are the key properties of methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate?
methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate has a molecular weight of 281.37 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]acetate is sourced from PubChem (CID 78582440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).