(4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone

C14H25FN2O — CID 176562324

IUPAC(4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone
SMILESCC(C)N1CCC(F)(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H25FN2O/c1-12(2)16-10-6-14(15,7-11-16)13(18)17-8-4-3-5-9-17/h12H,3-11H2,1-2H3
InChIKeyZGLPWKRLSPWHMQ-UHFFFAOYSA-N
MW256.36 g/mol
LogP2.21
Rot. Bonds2

About (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone

(4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone (PubChem CID 176562324) has the molecular formula C14H25FN2O and a molecular weight of 256.36 g/mol. Its IUPAC name is (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone
PubChem CID176562324
Molecular FormulaC14H25FN2O
Molecular Weight256.36 g/mol
Exact Mass256.20
IUPAC Name(4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone
SMILESCC(C)N1CCC(F)(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C14H25FN2O/c1-12(2)16-10-6-14(15,7-11-16)13(18)17-8-4-3-5-9-17/h12H,3-11H2,1-2H3
InChIKeyZGLPWKRLSPWHMQ-UHFFFAOYSA-N
XLogP2.21
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone (CID 176562324) is (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone is CC(C)N1CCC(F)(C(=O)N2CCCCC2)CC1.
What is the InChIKey of (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone?
The InChIKey is ZGLPWKRLSPWHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25FN2O/c1-12(2)16-10-6-14(15,7-11-16)13(18)17-8-4-3-5-9-17/h12H,3-11H2,1-2H3.
What are the key properties of (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone?
(4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone has a molecular weight of 256.36 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1-propan-2-ylpiperidin-4-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 176562324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).