N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline

C15H23FN2 — CID 62932207

IUPACN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
SMILESCC1(C)CCN(CCNc2ccccc2F)CC1
InChIInChI=1S/C15H23FN2/c1-15(2)7-10-18(11-8-15)12-9-17-14-6-4-3-5-13(14)16/h3-6,17H,7-12H2,1-2H3
InChIKeyMAMDHNRRVCIXKZ-UHFFFAOYSA-N
MW250.36 g/mol
LogP3.36
Rot. Bonds4

About N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline

N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline (PubChem CID 62932207) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
PubChem CID62932207
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC NameN-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline
SMILESCC1(C)CCN(CCNc2ccccc2F)CC1
InChIInChI=1S/C15H23FN2/c1-15(2)7-10-18(11-8-15)12-9-17-14-6-4-3-5-13(14)16/h3-6,17H,7-12H2,1-2H3
InChIKeyMAMDHNRRVCIXKZ-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline (CID 62932207) is N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline is CC1(C)CCN(CCNc2ccccc2F)CC1.
What is the InChIKey of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline?
The InChIKey is MAMDHNRRVCIXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-15(2)7-10-18(11-8-15)12-9-17-14-6-4-3-5-13(14)16/h3-6,17H,7-12H2,1-2H3.
What are the key properties of N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline?
N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline has a molecular weight of 250.36 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-dimethylpiperidin-1-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 62932207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).