[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine

C10H19FN2 — CID 115017152

IUPAC[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine
SMILESNCC1(CF)CCN(C2CC2)CC1
InChIInChI=1S/C10H19FN2/c11-7-10(8-12)3-5-13(6-4-10)9-1-2-9/h9H,1-8,12H2
InChIKeyOQLUSVOQBGFBAW-UHFFFAOYSA-N
MW186.27 g/mol
LogP1.16
Rot. Bonds3

About [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine

[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine (PubChem CID 115017152) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine
PubChem CID115017152
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Name[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine
SMILESNCC1(CF)CCN(C2CC2)CC1
InChIInChI=1S/C10H19FN2/c11-7-10(8-12)3-5-13(6-4-10)9-1-2-9/h9H,1-8,12H2
InChIKeyOQLUSVOQBGFBAW-UHFFFAOYSA-N
XLogP1.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine?
The IUPAC name of [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine (CID 115017152) is [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine is NCC1(CF)CCN(C2CC2)CC1.
What is the InChIKey of [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine?
The InChIKey is OQLUSVOQBGFBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2/c11-7-10(8-12)3-5-13(6-4-10)9-1-2-9/h9H,1-8,12H2.
What are the key properties of [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine?
[1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine has a molecular weight of 186.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cyclopropyl-4-(fluoromethyl)piperidin-4-yl]methanamine is sourced from PubChem (CID 115017152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).