2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

C21H41FN4 — CID 90823912

IUPAC2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)N1CCC(N2CCN(C)C(CC(C)N3CCC(F)CC3)C2)CC1
InChIInChI=1S/C21H41FN4/c1-17(2)24-11-7-20(8-12-24)26-14-13-23(4)21(16-26)15-18(3)25-9-5-19(22)6-10-25/h17-21H,5-16H2,1-4H3
InChIKeyPQDUBYFNLGHSRW-UHFFFAOYSA-N
MW368.59 g/mol
LogP2.69
Rot. Bonds5

About 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine

2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (PubChem CID 90823912) has the molecular formula C21H41FN4 and a molecular weight of 368.59 g/mol. Its IUPAC name is 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.

Molecular Properties

Compound Name2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
PubChem CID90823912
Molecular FormulaC21H41FN4
Molecular Weight368.59 g/mol
Exact Mass368.33
IUPAC Name2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
SMILESCC(C)N1CCC(N2CCN(C)C(CC(C)N3CCC(F)CC3)C2)CC1
InChIInChI=1S/C21H41FN4/c1-17(2)24-11-7-20(8-12-24)26-14-13-23(4)21(16-26)15-18(3)25-9-5-19(22)6-10-25/h17-21H,5-16H2,1-4H3
InChIKeyPQDUBYFNLGHSRW-UHFFFAOYSA-N
XLogP2.69
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The IUPAC name of 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine (CID 90823912) is 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine.
What is the SMILES notation for 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The canonical SMILES for 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is CC(C)N1CCC(N2CCN(C)C(CC(C)N3CCC(F)CC3)C2)CC1.
What is the InChIKey of 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
The InChIKey is PQDUBYFNLGHSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41FN4/c1-17(2)24-11-7-20(8-12-24)26-14-13-23(4)21(16-26)15-18(3)25-9-5-19(22)6-10-25/h17-21H,5-16H2,1-4H3.
What are the key properties of 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine?
2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine has a molecular weight of 368.59 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine is sourced from PubChem (CID 90823912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).