1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide

C14H19ClFN3 — CID 107161957

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H19ClFN3/c1-14(13(17)18)5-7-19(8-6-14)9-10-11(15)3-2-4-12(10)16/h2-4H,5-9H2,1H3,(H3,17,18)
InChIKeyLILKDUKGWBUACJ-UHFFFAOYSA-N
MW283.78 g/mol
LogP3.02
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide

1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide (PubChem CID 107161957) has the molecular formula C14H19ClFN3 and a molecular weight of 283.78 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide
PubChem CID107161957
Molecular FormulaC14H19ClFN3
Molecular Weight283.78 g/mol
Exact Mass283.13
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1(C)CCN(Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H19ClFN3/c1-14(13(17)18)5-7-19(8-6-14)9-10-11(15)3-2-4-12(10)16/h2-4H,5-9H2,1H3,(H3,17,18)
InChIKeyLILKDUKGWBUACJ-UHFFFAOYSA-N
XLogP3.02
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboxylic acid
CID 63124421
1-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165198
1-[(4-hydroxyphenyl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162140
4-methyl-1-(naphthalen-1-ylmethyl)piperidine-4-carboximidamide
CID 107162057
4-methyl-1-[(3-methyl-2-pyridinyl)methyl]piperidine-4-carboximidamide
CID 107162142
4-methyl-1-(thiophen-3-ylmethyl)piperidine-4-carboximidamide
CID 107162129
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
1-butyl-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 71174684
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 68537453
1-[(4-chloro-1,3-diethylpyrazol-5-yl)methyl]-4-methylpiperidine-4-carboximidamide
CID 107162069
1-[1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 25246880

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide (CID 107161957) is 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide is [H]/N=C(\N)C1(C)CCN(Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide?
The InChIKey is LILKDUKGWBUACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFN3/c1-14(13(17)18)5-7-19(8-6-14)9-10-11(15)3-2-4-12(10)16/h2-4H,5-9H2,1H3,(H3,17,18).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide?
1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide has a molecular weight of 283.78 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-4-methylpiperidine-4-carboximidamide is sourced from PubChem (CID 107161957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).