(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

C11H21FN4O2 — CID 121265403

IUPAC(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2NCCNC2N)C[C@H]1F
InChIInChI=1S/C11H21FN4O2/c1-18-8-2-5-16(6-7(8)12)11(17)9-10(13)15-4-3-14-9/h7-10,14-15H,2-6,13H2,1H3/t7-,8+,9?,10?/m1/s1
InChIKeyCRXKTCQCHFPWKZ-XHHQTKHESA-N
MW260.31 g/mol
LogP-1.58
Rot. Bonds2

About (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone

(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (PubChem CID 121265403) has the molecular formula C11H21FN4O2 and a molecular weight of 260.31 g/mol. Its IUPAC name is (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
PubChem CID121265403
Molecular FormulaC11H21FN4O2
Molecular Weight260.31 g/mol
Exact Mass260.16
IUPAC Name(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone
SMILESCO[C@H]1CCN(C(=O)C2NCCNC2N)C[C@H]1F
InChIInChI=1S/C11H21FN4O2/c1-18-8-2-5-16(6-7(8)12)11(17)9-10(13)15-4-3-14-9/h7-10,14-15H,2-6,13H2,1H3/t7-,8+,9?,10?/m1/s1
InChIKeyCRXKTCQCHFPWKZ-XHHQTKHESA-N
XLogP-1.58
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The IUPAC name of (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone (CID 121265403) is (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone.
What is the SMILES notation for (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The canonical SMILES for (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is CO[C@H]1CCN(C(=O)C2NCCNC2N)C[C@H]1F.
What is the InChIKey of (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
The InChIKey is CRXKTCQCHFPWKZ-XHHQTKHESA-N. The full InChI is InChI=1S/C11H21FN4O2/c1-18-8-2-5-16(6-7(8)12)11(17)9-10(13)15-4-3-14-9/h7-10,14-15H,2-6,13H2,1H3/t7-,8+,9?,10?/m1/s1.
What are the key properties of (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone?
(3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone has a molecular weight of 260.31 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperazin-2-yl)-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]methanone is sourced from PubChem (CID 121265403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).