(4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone

C14H26FN3O — CID 21061558

IUPAC(4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCCCN2F)CC1
InChIInChI=1S/C14H26FN3O/c1-14(2,3)17-10-8-16(9-11-17)13(19)12-6-4-5-7-18(12)15/h12H,4-11H2,1-3H3
InChIKeyMVHDTRBAQNCSRT-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.67
Rot. Bonds1

About (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone

(4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone (PubChem CID 21061558) has the molecular formula C14H26FN3O and a molecular weight of 271.38 g/mol. Its IUPAC name is (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone.

Molecular Properties

Compound Name(4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone
PubChem CID21061558
Molecular FormulaC14H26FN3O
Molecular Weight271.38 g/mol
Exact Mass271.21
IUPAC Name(4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone
SMILESCC(C)(C)N1CCN(C(=O)C2CCCCN2F)CC1
InChIInChI=1S/C14H26FN3O/c1-14(2,3)17-10-8-16(9-11-17)13(19)12-6-4-5-7-18(12)15/h12H,4-11H2,1-3H3
InChIKeyMVHDTRBAQNCSRT-UHFFFAOYSA-N
XLogP1.67
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone?
The IUPAC name of (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone (CID 21061558) is (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone.
What is the SMILES notation for (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone?
The canonical SMILES for (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone is CC(C)(C)N1CCN(C(=O)C2CCCCN2F)CC1.
What is the InChIKey of (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone?
The InChIKey is MVHDTRBAQNCSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FN3O/c1-14(2,3)17-10-8-16(9-11-17)13(19)12-6-4-5-7-18(12)15/h12H,4-11H2,1-3H3.
What are the key properties of (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone?
(4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone has a molecular weight of 271.38 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylpiperazin-1-yl)-(1-fluoropiperidin-2-yl)methanone is sourced from PubChem (CID 21061558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).