[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone

C14H25FN2O — CID 171744862

IUPAC[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC(C)(F)CN1CCC(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C14H25FN2O/c1-14(2,15)10-17-8-5-11(6-9-17)13(18)12-4-3-7-16-12/h11-12,16H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyYSARZVCNCZWQOK-LBPRGKRZSA-N
MW256.36 g/mol
LogP1.77
Rot. Bonds4

About [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone

[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 171744862) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID171744862
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESCC(C)(F)CN1CCC(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C14H25FN2O/c1-14(2,15)10-17-8-5-11(6-9-17)13(18)12-4-3-7-16-12/h11-12,16H,3-10H2,1-2H3/t12-/m0/s1
InChIKeyYSARZVCNCZWQOK-LBPRGKRZSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 171744862) is [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone is CC(C)(F)CN1CCC(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is YSARZVCNCZWQOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-14(2,15)10-17-8-5-11(6-9-17)13(18)12-4-3-7-16-12/h11-12,16H,3-10H2,1-2H3/t12-/m0/s1.
What are the key properties of [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 256.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 171744862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).