N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline

C16H25FN2 — CID 146228787

IUPACN-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
SMILESCC(C)(F)CN1CCC(CNc2ccccc2)CC1
InChIInChI=1S/C16H25FN2/c1-16(2,17)13-19-10-8-14(9-11-19)12-18-15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyVZSXDXVXSWNHOL-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.56
Rot. Bonds5

About N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline

N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline (PubChem CID 146228787) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
PubChem CID146228787
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC NameN-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline
SMILESCC(C)(F)CN1CCC(CNc2ccccc2)CC1
InChIInChI=1S/C16H25FN2/c1-16(2,17)13-19-10-8-14(9-11-19)12-18-15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3
InChIKeyVZSXDXVXSWNHOL-UHFFFAOYSA-N
XLogP3.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline?
The IUPAC name of N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline (CID 146228787) is N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline.
What is the SMILES notation for N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline?
The canonical SMILES for N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline is CC(C)(F)CN1CCC(CNc2ccccc2)CC1.
What is the InChIKey of N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline?
The InChIKey is VZSXDXVXSWNHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-16(2,17)13-19-10-8-14(9-11-19)12-18-15-6-4-3-5-7-15/h3-7,14,18H,8-13H2,1-2H3.
What are the key properties of N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline?
N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline has a molecular weight of 264.39 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]methyl]aniline is sourced from PubChem (CID 146228787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).