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

C16H32FN3 — CID 167417673

IUPAC1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2(F)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H32FN3/c1-14(2)19-7-5-16(17,6-8-19)13-18-9-11-20(12-10-18)15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyGRTDQGGAUFKFHK-UHFFFAOYSA-N
MW285.45 g/mol
LogP2.22
Rot. Bonds4

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

1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (PubChem CID 167417673) has the molecular formula C16H32FN3 and a molecular weight of 285.45 g/mol. Its IUPAC name is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
PubChem CID167417673
Molecular FormulaC16H32FN3
Molecular Weight285.45 g/mol
Exact Mass285.26
IUPAC Name1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2(F)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C16H32FN3/c1-14(2)19-7-5-16(17,6-8-19)13-18-9-11-20(12-10-18)15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyGRTDQGGAUFKFHK-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
CID 99837117
1-(1-Tert-butylpiperidin-4-yl)-4-(2-fluoroethyl)piperazine
CID 89945119
1-(2-Fluoroethyl)-4-(1-methylpiperidin-4-yl)piperazine
CID 89946650
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
1-[4-(4,4-Difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine
CID 138612303
2-Ethyl-4-[(4-fluoro-1,4-dimethylpiperidin-3-yl)methyl]-1-methylpiperazine
CID 138744632
4,4-Difluoro-1-propylpiperidine;4-methyl-1-(4,4,4-trifluorobutan-2-yl)piperidine
CID 144220997

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine (CID 167417673) is 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2(F)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
The InChIKey is GRTDQGGAUFKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN3/c1-14(2)19-7-5-16(17,6-8-19)13-18-9-11-20(12-10-18)15(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine?
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine has a molecular weight of 285.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 167417673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).