N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine

C12H23FN2 — CID 155274560

IUPACN-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine
SMILESC=C(CCC)N(CF)N1CCC(C)CC1
InChIInChI=1S/C12H23FN2/c1-4-5-12(3)15(10-13)14-8-6-11(2)7-9-14/h11H,3-10H2,1-2H3
InChIKeyMBSJSBLWZRNEDB-UHFFFAOYSA-N
MW214.33 g/mol
LogP3.18
Rot. Bonds5

About N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine

N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine (PubChem CID 155274560) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine.

Molecular Properties

Compound NameN-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine
PubChem CID155274560
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC NameN-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine
SMILESC=C(CCC)N(CF)N1CCC(C)CC1
InChIInChI=1S/C12H23FN2/c1-4-5-12(3)15(10-13)14-8-6-11(2)7-9-14/h11H,3-10H2,1-2H3
InChIKeyMBSJSBLWZRNEDB-UHFFFAOYSA-N
XLogP3.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine?
The IUPAC name of N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine (CID 155274560) is N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine.
What is the SMILES notation for N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine?
The canonical SMILES for N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine is C=C(CCC)N(CF)N1CCC(C)CC1.
What is the InChIKey of N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine?
The InChIKey is MBSJSBLWZRNEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23FN2/c1-4-5-12(3)15(10-13)14-8-6-11(2)7-9-14/h11H,3-10H2,1-2H3.
What are the key properties of N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine?
N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine has a molecular weight of 214.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(fluoromethyl)-4-methyl-N-pent-1-en-2-ylpiperidin-1-amine is sourced from PubChem (CID 155274560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).