(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine

C10H18FN3 — CID 145197707

IUPAC(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCC(F)C1
InChIInChI=1S/C10H18FN3/c1-8(12)4-5-10(13)14-6-2-3-9(11)7-14/h4-5,9H,2-3,6-7,12-13H2,1H3/b8-4-,10-5+
InChIKeyBVRDRXWCKKPRPX-HZEUFOEUSA-N
MW199.27 g/mol
LogP1.08
Rot. Bonds2

About (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine

(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine (PubChem CID 145197707) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine.

Molecular Properties

Compound Name(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine
PubChem CID145197707
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine
SMILESC/C(N)=C/C=C(\N)N1CCCC(F)C1
InChIInChI=1S/C10H18FN3/c1-8(12)4-5-10(13)14-6-2-3-9(11)7-14/h4-5,9H,2-3,6-7,12-13H2,1H3/b8-4-,10-5+
InChIKeyBVRDRXWCKKPRPX-HZEUFOEUSA-N
XLogP1.08
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3E)-4-fluoro-5-piperidin-1-ylhexa-1,3,5-trien-2-amine
CID 143599145
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406435
(1E,3Z)-1-(4-pentylpiperazin-1-yl)penta-1,3-diene-1,4-diamine
CID 134406444
(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
CID 134406452
(1E,3Z)-1-[(3R)-3-methylpiperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406497
(1E,3Z)-1-[4-(dimethylamino)piperidin-1-yl]penta-1,3-diene-1,4-diamine
CID 134406903
(3Z,5E)-5-piperidin-1-ylhepta-1,3,5-trien-2-amine
CID 139316986
ethane;(2E,4E)-5-piperidin-1-ylhexa-2,4-dien-2-amine
CID 144036227
ethane;N-methylmethanamine;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
CID 145197806
(1E,3Z)-1-(4-amino-4-methylpiperidin-1-yl)penta-1,3-diene-1,4-diamine;ethane
CID 145197936
ethane;(1E,3Z)-1-piperidin-1-ylpenta-1,3-diene-1,4-diamine
CID 145198069

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The IUPAC name of (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine (CID 145197707) is (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine.
What is the SMILES notation for (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The canonical SMILES for (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine is C/C(N)=C/C=C(\N)N1CCCC(F)C1.
What is the InChIKey of (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine?
The InChIKey is BVRDRXWCKKPRPX-HZEUFOEUSA-N. The full InChI is InChI=1S/C10H18FN3/c1-8(12)4-5-10(13)14-6-2-3-9(11)7-14/h4-5,9H,2-3,6-7,12-13H2,1H3/b8-4-,10-5+.
What are the key properties of (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine?
(1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine has a molecular weight of 199.27 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-(3-fluoropiperidin-1-yl)penta-1,3-diene-1,4-diamine is sourced from PubChem (CID 145197707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).