N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine

C18H33FN2 — CID 123373633

IUPACN-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
SMILESCC(C)=CC=C(C)C(NCCN1CCC(F)CC1)C(C)C
InChIInChI=1S/C18H33FN2/c1-14(2)6-7-16(5)18(15(3)4)20-10-13-21-11-8-17(19)9-12-21/h6-7,15,17-18,20H,8-13H2,1-5H3
InChIKeyFLPQXRVHXGTXJX-UHFFFAOYSA-N
MW296.47 g/mol
LogP3.95
Rot. Bonds7

About N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine

N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine (PubChem CID 123373633) has the molecular formula C18H33FN2 and a molecular weight of 296.47 g/mol. Its IUPAC name is N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine.

Molecular Properties

Compound NameN-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
PubChem CID123373633
Molecular FormulaC18H33FN2
Molecular Weight296.47 g/mol
Exact Mass296.26
IUPAC NameN-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
SMILESCC(C)=CC=C(C)C(NCCN1CCC(F)CC1)C(C)C
InChIInChI=1S/C18H33FN2/c1-14(2)6-7-16(5)18(15(3)4)20-10-13-21-11-8-17(19)9-12-21/h6-7,15,17-18,20H,8-13H2,1-5H3
InChIKeyFLPQXRVHXGTXJX-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine?
The IUPAC name of N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine (CID 123373633) is N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine.
What is the SMILES notation for N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine?
The canonical SMILES for N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine is CC(C)=CC=C(C)C(NCCN1CCC(F)CC1)C(C)C.
What is the InChIKey of N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine?
The InChIKey is FLPQXRVHXGTXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2/c1-14(2)6-7-16(5)18(15(3)4)20-10-13-21-11-8-17(19)9-12-21/h6-7,15,17-18,20H,8-13H2,1-5H3.
What are the key properties of N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine?
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine has a molecular weight of 296.47 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine is sourced from PubChem (CID 123373633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).