1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine

C16H32FN3 — CID 170629341

IUPAC1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C[C@@H]2CCN(C(C)C)C[C@H]2F)CC1
InChIInChI=1S/C16H32FN3/c1-13(2)19-9-7-18(8-10-19)11-15-5-6-20(14(3)4)12-16(15)17/h13-16H,5-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyZWSROPNAPGVJBR-JKSUJKDBSA-N
MW285.45 g/mol
LogP2.08
Rot. Bonds4

About 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine

1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 170629341) has the molecular formula C16H32FN3 and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID170629341
Molecular FormulaC16H32FN3
Molecular Weight285.45 g/mol
Exact Mass285.26
IUPAC Name1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(C[C@@H]2CCN(C(C)C)C[C@H]2F)CC1
InChIInChI=1S/C16H32FN3/c1-13(2)19-9-7-18(8-10-19)11-15-5-6-20(14(3)4)12-16(15)17/h13-16H,5-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyZWSROPNAPGVJBR-JKSUJKDBSA-N
XLogP2.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
CID 99837117
(3R)-1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 68267599
(3S)-1-[2-(4-fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 68267600
1-[2-(4-Fluoropiperidin-1-yl)ethyl]-3-methylpiperidine
CID 77445901
2-(2-Fluoropiperidin-4-yl)-1-methylpiperazine
CID 90868872
2-(3-Fluoropiperidin-4-yl)-1-methylpiperazine
CID 91061722
1-(1-Tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 129258302
2-[(1-Ethyl-4-fluoropiperidin-3-yl)methyl]-1,4-dimethylpiperazine
CID 129288871
1-[5-(4-Fluoropiperidin-1-yl)-2,5-dimethylhexan-2-yl]-4-methylpiperazine
CID 131991598
1-Propan-2-yl-4-[5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 132011540
1-Tert-butyl-4-[[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]methyl]piperazine
CID 135165055
1-Tert-butyl-4-[5-methyl-5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 135299334

Frequently Asked Questions

What is the IUPAC name of 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine (CID 170629341) is 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(C[C@@H]2CCN(C(C)C)C[C@H]2F)CC1.
What is the InChIKey of 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is ZWSROPNAPGVJBR-JKSUJKDBSA-N. The full InChI is InChI=1S/C16H32FN3/c1-13(2)19-9-7-18(8-10-19)11-15-5-6-20(14(3)4)12-16(15)17/h13-16H,5-12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 285.45 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3S,4S)-3-fluoro-1-propan-2-ylpiperidin-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170629341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).