N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine

C14H21FN2 — CID 70653063

IUPACN-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(C)CC2)c(F)c1
InChIInChI=1S/C14H21FN2/c1-11-3-4-12(14(15)9-11)10-16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyRKAQKZHPTIQYAS-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.32
Rot. Bonds3

About N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine

N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 70653063) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID70653063
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC NameN-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
SMILESCc1ccc(CNC2CCN(C)CC2)c(F)c1
InChIInChI=1S/C14H21FN2/c1-11-3-4-12(14(15)9-11)10-16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3
InChIKeyRKAQKZHPTIQYAS-UHFFFAOYSA-N
XLogP2.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine (CID 70653063) is N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine is Cc1ccc(CNC2CCN(C)CC2)c(F)c1.
What is the InChIKey of N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is RKAQKZHPTIQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-3-4-12(14(15)9-11)10-16-13-5-7-17(2)8-6-13/h3-4,9,13,16H,5-8,10H2,1-2H3.
What are the key properties of N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine?
N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 236.33 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 70653063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).