2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline

C14H21FN2 — CID 79548792

IUPAC2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11(10-12-6-4-5-9-16-12)17-14-8-3-2-7-13(14)15/h2-3,7-8,11-12,16-17H,4-6,9-10H2,1H3
InChIKeyCDIJBMQPWBJWSA-UHFFFAOYSA-N
MW236.33 g/mol
LogP3.16
Rot. Bonds4

About 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline

2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline (PubChem CID 79548792) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
PubChem CID79548792
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccccc1F
InChIInChI=1S/C14H21FN2/c1-11(10-12-6-4-5-9-16-12)17-14-8-3-2-7-13(14)15/h2-3,7-8,11-12,16-17H,4-6,9-10H2,1H3
InChIKeyCDIJBMQPWBJWSA-UHFFFAOYSA-N
XLogP3.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-2-(difluoromethylsulfanyl)aniline
CID 79540761
4-bromo-2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549522
N-[1-(azepan-2-yl)propan-2-yl]naphthalen-1-amine
CID 79540649
N-[1-(azepan-2-yl)propan-2-yl]-3-chloro-2-fluoroaniline
CID 79560372
1-[2-[1-(azepan-2-yl)propan-2-ylamino]phenyl]ethanol
CID 79560809
N-[1-(azepan-2-yl)propan-2-yl]-2-(methoxymethyl)aniline
CID 79559708
2-bromo-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79540004
N-[1-(azepan-2-yl)propan-2-yl]-2-bromo-6-fluoroaniline
CID 107598571
2-(2-methylpropoxy)-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79539102
1-(azepan-2-yl)-N-[(1R)-1-(2-fluorophenyl)ethyl]propan-2-amine
CID 81379842
N-[1-(azepan-2-yl)propan-2-yl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 79540760
2-methyl-6-(1-piperidin-2-ylpropan-2-ylamino)benzonitrile
CID 107803271

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The IUPAC name of 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline (CID 79548792) is 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline.
What is the SMILES notation for 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The canonical SMILES for 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline is CC(CC1CCCCN1)Nc1ccccc1F.
What is the InChIKey of 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
The InChIKey is CDIJBMQPWBJWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11(10-12-6-4-5-9-16-12)17-14-8-3-2-7-13(14)15/h2-3,7-8,11-12,16-17H,4-6,9-10H2,1H3.
What are the key properties of 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline?
2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline has a molecular weight of 236.33 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-piperidin-2-ylpropan-2-yl)aniline is sourced from PubChem (CID 79548792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).