1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine

C22H43FN4 — CID 176760614

IUPAC1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C3CCN(C(C)(C)C)CC3F)CC2)CC1
InChIInChI=1S/C22H43FN4/c1-18(2)25-14-12-24(13-15-25)16-19-6-9-26(10-7-19)21-8-11-27(17-20(21)23)22(3,4)5/h18-21H,6-17H2,1-5H3
InChIKeyVCFKSDUSFAYGDS-UHFFFAOYSA-N
MW382.61 g/mol
LogP2.94
Rot. Bonds4

About 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine

1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 176760614) has the molecular formula C22H43FN4 and a molecular weight of 382.61 g/mol. Its IUPAC name is 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID176760614
Molecular FormulaC22H43FN4
Molecular Weight382.61 g/mol
Exact Mass382.35
IUPAC Name1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CC2CCN(C3CCN(C(C)(C)C)CC3F)CC2)CC1
InChIInChI=1S/C22H43FN4/c1-18(2)25-14-12-24(13-15-25)16-19-6-9-26(10-7-19)21-8-11-27(17-20(21)23)22(3,4)5/h18-21H,6-17H2,1-5H3
InChIKeyVCFKSDUSFAYGDS-UHFFFAOYSA-N
XLogP2.94
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
2-[2-(4-Fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 90823912
5-Fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 123442953
4-[2-(4-Fluoropiperidin-1-yl)propan-2-yl]-2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 132158384
5-Fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134340085
1-Tert-butyl-4-[[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]piperazine
CID 153484479
2-(1-Fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 154669985
4-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
CID 154670214
3,3-Difluoro-1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine
CID 161578141
4-Fluoro-1-(1-methylpiperidin-4-yl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 167091285
1-[2-(3-Fluoro-1-propan-2-ylpiperidin-4-yl)propan-2-yl]-4-methylpiperazine
CID 167247240
1-[(4-Fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 167417673

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (CID 176760614) is 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CC2CCN(C3CCN(C(C)(C)C)CC3F)CC2)CC1.
What is the InChIKey of 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is VCFKSDUSFAYGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43FN4/c1-18(2)25-14-12-24(13-15-25)16-19-6-9-26(10-7-19)21-8-11-27(17-20(21)23)22(3,4)5/h18-21H,6-17H2,1-5H3.
What are the key properties of 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 382.61 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(1-tert-butyl-3-fluoropiperidin-4-yl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 176760614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).