1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine

C9H15FN2 — CID 134485832

IUPAC1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine
SMILESC=C(F)C(=C)N1CCCC(N)C1
InChIInChI=1S/C9H15FN2/c1-7(10)8(2)12-5-3-4-9(11)6-12/h9H,1-6,11H2
InChIKeyXKZDIDWTLUUXEK-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.41
Rot. Bonds2

About 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine

1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine (PubChem CID 134485832) has the molecular formula C9H15FN2 and a molecular weight of 170.23 g/mol. Its IUPAC name is 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine.

Molecular Properties

Compound Name1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine
PubChem CID134485832
Molecular FormulaC9H15FN2
Molecular Weight170.23 g/mol
Exact Mass170.12
IUPAC Name1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine
SMILESC=C(F)C(=C)N1CCCC(N)C1
InChIInChI=1S/C9H15FN2/c1-7(10)8(2)12-5-3-4-9(11)6-12/h9H,1-6,11H2
InChIKeyXKZDIDWTLUUXEK-UHFFFAOYSA-N
XLogP1.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(3-Fluoropiperidin-1-yl)prop-1-en-2-amine
CID 89294562
1-(3-Fluorobuta-1,3-dien-2-yl)piperazine
CID 123812074
1-(3-Fluorobuta-1,3-dien-2-yl)-3-methylpiperazine
CID 123825895
5-fluoro-N-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-3-amine
CID 169691180
1-(3-Aminoprop-1-en-2-yl)-3-fluoropiperidin-4-amine
CID 171530774
1-[3-(Dimethylamino)prop-1-en-2-yl]-3-fluoropiperidin-4-amine
CID 171530885
3-Fluoro-1-prop-1-en-2-ylpiperidin-4-amine
CID 171531053
(3R,5S)-1-(3-aminoprop-1-en-2-yl)-N-but-1-en-2-yl-5-fluoro-N-propylpiperidin-3-amine
CID 174317421
1-[3-(dimethylamino)prop-1-en-2-yl]-3-fluoro-N-methylpiperidin-4-amine
CID 176992197
3-(3,3-difluoropiperidin-1-yl)-N-propan-2-ylprop-1-en-2-amine
CID 170569255
1-Prop-1-en-2-ylpiperidin-3-amine
CID 90874613
(3R)-1-prop-1-en-2-ylpiperidin-3-amine
CID 129230450

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine?
The IUPAC name of 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine (CID 134485832) is 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine.
What is the SMILES notation for 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine?
The canonical SMILES for 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine is C=C(F)C(=C)N1CCCC(N)C1.
What is the InChIKey of 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine?
The InChIKey is XKZDIDWTLUUXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FN2/c1-7(10)8(2)12-5-3-4-9(11)6-12/h9H,1-6,11H2.
What are the key properties of 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine?
1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine has a molecular weight of 170.23 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobuta-1,3-dien-2-yl)piperidin-3-amine is sourced from PubChem (CID 134485832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).