N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

C17H27FN2 — CID 103776045

IUPACN-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCc2ccccc2F)CC1
InChIInChI=1S/C17H27FN2/c1-14(2)13-20-11-8-16(9-12-20)19-10-7-15-5-3-4-6-17(15)18/h3-6,14,16,19H,7-13H2,1-2H3
InChIKeyHKDCMBUFEZFTCR-UHFFFAOYSA-N
MW278.41 g/mol
LogP3.08
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine

N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103776045) has the molecular formula C17H27FN2 and a molecular weight of 278.41 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103776045
Molecular FormulaC17H27FN2
Molecular Weight278.41 g/mol
Exact Mass278.22
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCCc2ccccc2F)CC1
InChIInChI=1S/C17H27FN2/c1-14(2)13-20-11-8-16(9-12-20)19-10-7-15-5-3-4-6-17(15)18/h3-6,14,16,19H,7-13H2,1-2H3
InChIKeyHKDCMBUFEZFTCR-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
1-[2-(2-fluorophenyl)ethyl]-N-propylpyrrolidin-3-amine
CID 43315228
N-(2-ethylphenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103930824
N-(3,4-difluorophenyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103932415
N-[2-(2-methylphenyl)ethyl]-1-propylpiperidin-4-amine
CID 78911476
N-(2-methyl-2-phenylpropyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103777348
1-[2-(2-fluorophenyl)ethyl]-3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]urea
CID 111111368
2-(2-fluorophenyl)-1-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60590521
N-(2-cyclobutylethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 103914513
(2R)-N-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-2-methylsulfonylpropanamide
CID 94797005
N-[2-(2-chlorophenyl)ethyl]-1-methylpiperidin-4-amine
CID 23931096
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103914423

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine (CID 103776045) is N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(NCCc2ccccc2F)CC1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is HKDCMBUFEZFTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2/c1-14(2)13-20-11-8-16(9-12-20)19-10-7-15-5-3-4-6-17(15)18/h3-6,14,16,19H,7-13H2,1-2H3.
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 278.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103776045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).