(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine

C15H21FN2 — CID 71216462

IUPAC(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine
SMILESCC1C/C(=C\N)CN([C@@H](C)c2ccccc2F)C1
InChIInChI=1S/C15H21FN2/c1-11-7-13(8-17)10-18(9-11)12(2)14-5-3-4-6-15(14)16/h3-6,8,11-12H,7,9-10,17H2,1-2H3/b13-8+/t11?,12-/m0/s1
InChIKeyUEMNWWRVTRZIHE-HCSJXPLESA-N
MW248.35 g/mol
LogP3.07
Rot. Bonds2

About (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine

(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine (PubChem CID 71216462) has the molecular formula C15H21FN2 and a molecular weight of 248.35 g/mol. Its IUPAC name is (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine
PubChem CID71216462
Molecular FormulaC15H21FN2
Molecular Weight248.35 g/mol
Exact Mass248.17
IUPAC Name(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine
SMILESCC1C/C(=C\N)CN([C@@H](C)c2ccccc2F)C1
InChIInChI=1S/C15H21FN2/c1-11-7-13(8-17)10-18(9-11)12(2)14-5-3-4-6-15(14)16/h3-6,8,11-12H,7,9-10,17H2,1-2H3/b13-8+/t11?,12-/m0/s1
InChIKeyUEMNWWRVTRZIHE-HCSJXPLESA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2-fluorophenyl)ethyl]-3-methylpiperazine;hydrochloride
CID 119924252
1-[1-(2,3-difluorophenyl)ethyl]-5-methylpiperidin-3-amine
CID 114059326
1-[1-(2-fluorophenyl)ethyl]-3-methylpiperidin-4-one
CID 54975170
1-[1-(2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
CID 65072000
1-[(1S)-1-(2-fluorophenyl)ethyl]piperidin-4-one
CID 167714144
1-(2-fluorophenyl)-1-(4-methylpiperidin-1-yl)propan-2-amine
CID 55018678
1-[1-(2-fluorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066425
2-[1-(2-fluorophenyl)ethyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 78986474
1-(2,6-dimethylmorpholin-4-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018870
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-(2-fluorophenyl)propan-2-amine
CID 104957874
5-ethyl-1-[1-(2-fluorophenyl)ethyl]-2-methylpiperazine
CID 64945888
4-[4-[1-(2-fluorophenyl)ethyl]piperazin-1-yl]sulfonyl-2,6-dimethylmorpholine
CID 60500414

Frequently Asked Questions

What is the IUPAC name of (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine?
The IUPAC name of (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine (CID 71216462) is (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine.
What is the SMILES notation for (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine?
The canonical SMILES for (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine is CC1C/C(=C\N)CN([C@@H](C)c2ccccc2F)C1.
What is the InChIKey of (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine?
The InChIKey is UEMNWWRVTRZIHE-HCSJXPLESA-N. The full InChI is InChI=1S/C15H21FN2/c1-11-7-13(8-17)10-18(9-11)12(2)14-5-3-4-6-15(14)16/h3-6,8,11-12H,7,9-10,17H2,1-2H3/b13-8+/t11?,12-/m0/s1.
What are the key properties of (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine?
(E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine has a molecular weight of 248.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[1-[(1S)-1-(2-fluorophenyl)ethyl]-5-methylpiperidin-3-ylidene]methanamine is sourced from PubChem (CID 71216462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).