2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine

C18H33FN2 — CID 123501782

IUPAC2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
SMILESCCC1(F)CCN(C(C)CC(=CC(C)=C(C)C)CN)CC1
InChIInChI=1S/C18H33FN2/c1-6-18(19)7-9-21(10-8-18)16(5)12-17(13-20)11-15(4)14(2)3/h11,16H,6-10,12-13,20H2,1-5H3
InChIKeyFWQMYSUNRNGWMX-UHFFFAOYSA-N
MW296.47 g/mol
LogP4.22
Rot. Bonds6

About 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine

2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine (PubChem CID 123501782) has the molecular formula C18H33FN2 and a molecular weight of 296.47 g/mol. Its IUPAC name is 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
PubChem CID123501782
Molecular FormulaC18H33FN2
Molecular Weight296.47 g/mol
Exact Mass296.26
IUPAC Name2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine
SMILESCCC1(F)CCN(C(C)CC(=CC(C)=C(C)C)CN)CC1
InChIInChI=1S/C18H33FN2/c1-6-18(19)7-9-21(10-8-18)16(5)12-17(13-20)11-15(4)14(2)3/h11,16H,6-10,12-13,20H2,1-5H3
InChIKeyFWQMYSUNRNGWMX-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 54.22
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

N-[(4-fluorocyclohexa-1,5-dien-1-yl)methyl]-1-methylpiperidin-4-amine
CID 70325320
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
4-[1-(2-Fluoroethyl)piperidin-4-yl]hexa-2,4-dien-1-amine
CID 91377758
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
CID 123373633
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959
ethane;N-[(3E)-3-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-yl]-1-methylpiperidin-4-amine
CID 144962807
N-[[1-[(4E)-6-fluoro-2,4-dimethylhepta-4,6-dien-2-yl]piperidin-4-yl]methyl]ethanamine
CID 145297020
(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine
CID 156543123
1-[(3Z,5Z)-7-fluoro-3,5-dimethylocta-3,5,7-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 167025868
(2S,4R)-2-[(3E,5Z)-4-fluorohepta-1,3,5-trien-2-yl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 169644113
(3R,4R)-1-(6-ethyl-1-fluorocyclohexa-2,4-dien-1-yl)-3-fluoropiperidin-4-amine
CID 174552848
1-(2-Fluoro-6-methylcyclohexa-1,5-dien-1-yl)piperidin-4-amine
CID 176552600

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine?
The IUPAC name of 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine (CID 123501782) is 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine.
What is the SMILES notation for 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine?
The canonical SMILES for 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine is CCC1(F)CCN(C(C)CC(=CC(C)=C(C)C)CN)CC1.
What is the InChIKey of 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine?
The InChIKey is FWQMYSUNRNGWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33FN2/c1-6-18(19)7-9-21(10-8-18)16(5)12-17(13-20)11-15(4)14(2)3/h11,16H,6-10,12-13,20H2,1-5H3.
What are the key properties of 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine?
2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine has a molecular weight of 296.47 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethyl-4-fluoropiperidin-1-yl)propyl]-4,5-dimethylhexa-2,4-dien-1-amine is sourced from PubChem (CID 123501782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).