(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine

C15H27FN2 — CID 167291286

IUPAC(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\CCC(C)C)N[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C15H27FN2/c1-12(2)7-5-6-8-13(3)17-15-9-10-18(4)11-14(15)16/h6,8,12,14-15,17H,3,5,7,9-11H2,1-2,4H3/b8-6-/t14-,15+/m0/s1
InChIKeyRYDQTQSFZQCSSZ-NEFCLYRVSA-N
MW254.39 g/mol
LogP3.12
Rot. Bonds6

About (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine

(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine (PubChem CID 167291286) has the molecular formula C15H27FN2 and a molecular weight of 254.39 g/mol. Its IUPAC name is (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
PubChem CID167291286
Molecular FormulaC15H27FN2
Molecular Weight254.39 g/mol
Exact Mass254.22
IUPAC Name(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C\CCC(C)C)N[C@@H]1CCN(C)C[C@@H]1F
InChIInChI=1S/C15H27FN2/c1-12(2)7-5-6-8-13(3)17-15-9-10-18(4)11-14(15)16/h6,8,12,14-15,17H,3,5,7,9-11H2,1-2,4H3/b8-6-/t14-,15+/m0/s1
InChIKeyRYDQTQSFZQCSSZ-NEFCLYRVSA-N
XLogP3.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.12
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 (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine?
The IUPAC name of (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine (CID 167291286) is (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine is C=C(/C=C\CCC(C)C)N[C@@H]1CCN(C)C[C@@H]1F.
What is the InChIKey of (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine?
The InChIKey is RYDQTQSFZQCSSZ-NEFCLYRVSA-N. The full InChI is InChI=1S/C15H27FN2/c1-12(2)7-5-6-8-13(3)17-15-9-10-18(4)11-14(15)16/h6,8,12,14-15,17H,3,5,7,9-11H2,1-2,4H3/b8-6-/t14-,15+/m0/s1.
What are the key properties of (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine?
(3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine has a molecular weight of 254.39 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-fluoro-1-methyl-N-[(3Z)-7-methylocta-1,3-dien-2-yl]piperidin-4-amine is sourced from PubChem (CID 167291286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).