N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine

C11H22FN3 — CID 105469156

IUPACN-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine
SMILESCN1CCCC1NCC1(F)CCNCC1
InChIInChI=1S/C11H22FN3/c1-15-8-2-3-10(15)14-9-11(12)4-6-13-7-5-11/h10,13-14H,2-9H2,1H3
InChIKeyLCPIPBKGPCGZBT-UHFFFAOYSA-N
MW215.32 g/mol
LogP0.72
Rot. Bonds3

About N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine

N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine (PubChem CID 105469156) has the molecular formula C11H22FN3 and a molecular weight of 215.32 g/mol. Its IUPAC name is N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine
PubChem CID105469156
Molecular FormulaC11H22FN3
Molecular Weight215.32 g/mol
Exact Mass215.18
IUPAC NameN-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine
SMILESCN1CCCC1NCC1(F)CCNCC1
InChIInChI=1S/C11H22FN3/c1-15-8-2-3-10(15)14-9-11(12)4-6-13-7-5-11/h10,13-14H,2-9H2,1H3
InChIKeyLCPIPBKGPCGZBT-UHFFFAOYSA-N
XLogP0.72
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine?
The IUPAC name of N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine (CID 105469156) is N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine.
What is the SMILES notation for N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine?
The canonical SMILES for N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine is CN1CCCC1NCC1(F)CCNCC1.
What is the InChIKey of N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine?
The InChIKey is LCPIPBKGPCGZBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN3/c1-15-8-2-3-10(15)14-9-11(12)4-6-13-7-5-11/h10,13-14H,2-9H2,1H3.
What are the key properties of N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine?
N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine has a molecular weight of 215.32 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoropiperidin-4-yl)methyl]-1-methylpyrrolidin-2-amine is sourced from PubChem (CID 105469156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).