[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine

C14H20ClFN2 — CID 54989344

IUPAC[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10-2-3-11(7-17)8-18(10)9-12-4-5-13(16)6-14(12)15/h4-6,10-11H,2-3,7-9,17H2,1H3
InChIKeyRDNUMZLPPYCGBT-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.04
Rot. Bonds3

About [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine

[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine (PubChem CID 54989344) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
PubChem CID54989344
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
SMILESCC1CCC(CN)CN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C14H20ClFN2/c1-10-2-3-11(7-17)8-18(10)9-12-4-5-13(16)6-14(12)15/h4-6,10-11H,2-3,7-9,17H2,1H3
InChIKeyRDNUMZLPPYCGBT-UHFFFAOYSA-N
XLogP3.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chloro-4-fluorophenyl)methyl]-4-methylpiperazin-2-yl]methanamine
CID 80506940
1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-3-(2-methylpropyl)-1,4-diazepane
CID 64869391
[6-methyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-3-yl]methanamine
CID 54989394
[1-[(3-chloro-4-methoxyphenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 65026475
1-[(2-chloro-4-fluorophenyl)methyl]-3-ethyl-3,7-dimethyl-1,4-diazepane
CID 64871241
1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpiperidine
CID 22197972
1-[(2-chloro-4-fluorophenyl)methyl]-3-methylpiperidin-4-amine
CID 79867288
[1-[(4-bromo-2-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 114382210
[1-[(2-chloro-5-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 102616960
4-[(3R,6S)-1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]oxy-5-cyclopropyl-2-fluorobenzoic acid
CID 118120532
[1-[(3-fluoro-5-nitrophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 115980981
(2S)-1-[2-(2-chloro-4-fluorophenyl)ethyl]-2-methylpiperidine
CID 176781027

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The IUPAC name of [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine (CID 54989344) is [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine is CC1CCC(CN)CN1Cc1ccc(F)cc1Cl.
What is the InChIKey of [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
The InChIKey is RDNUMZLPPYCGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-10-2-3-11(7-17)8-18(10)9-12-4-5-13(16)6-14(12)15/h4-6,10-11H,2-3,7-9,17H2,1H3.
What are the key properties of [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine?
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine has a molecular weight of 270.78 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 54989344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).