1-but-1-en-2-yl-4-(fluoromethyl)piperidine

C10H18FN — CID 145230952

IUPAC1-but-1-en-2-yl-4-(fluoromethyl)piperidine
SMILESC=C(CC)N1CCC(CF)CC1
InChIInChI=1S/C10H18FN/c1-3-9(2)12-6-4-10(8-11)5-7-12/h10H,2-8H2,1H3
InChIKeyBOEGWRGFICEWQR-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds3

About 1-but-1-en-2-yl-4-(fluoromethyl)piperidine

1-but-1-en-2-yl-4-(fluoromethyl)piperidine (PubChem CID 145230952) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-(fluoromethyl)piperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-(fluoromethyl)piperidine
PubChem CID145230952
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-but-1-en-2-yl-4-(fluoromethyl)piperidine
SMILESC=C(CC)N1CCC(CF)CC1
InChIInChI=1S/C10H18FN/c1-3-9(2)12-6-4-10(8-11)5-7-12/h10H,2-8H2,1H3
InChIKeyBOEGWRGFICEWQR-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-(fluoromethyl)piperidine?
The IUPAC name of 1-but-1-en-2-yl-4-(fluoromethyl)piperidine (CID 145230952) is 1-but-1-en-2-yl-4-(fluoromethyl)piperidine.
What is the SMILES notation for 1-but-1-en-2-yl-4-(fluoromethyl)piperidine?
The canonical SMILES for 1-but-1-en-2-yl-4-(fluoromethyl)piperidine is C=C(CC)N1CCC(CF)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-(fluoromethyl)piperidine?
The InChIKey is BOEGWRGFICEWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-3-9(2)12-6-4-10(8-11)5-7-12/h10H,2-8H2,1H3.
What are the key properties of 1-but-1-en-2-yl-4-(fluoromethyl)piperidine?
1-but-1-en-2-yl-4-(fluoromethyl)piperidine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-(fluoromethyl)piperidine is sourced from PubChem (CID 145230952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).