(2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine

C15H26N2 — CID 166965559

IUPAC(2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine
SMILESC=C(/C=C\C=C/C)[C@@H]1C[C@H](N)CCN1C(C)C
InChIInChI=1S/C15H26N2/c1-5-6-7-8-13(4)15-11-14(16)9-10-17(15)12(2)3/h5-8,12,14-15H,4,9-11,16H2,1-3H3/b6-5-,8-7-/t14-,15+/m1/s1
InChIKeyCQMJRVNAANBIJD-RDZHSKRASA-N
MW234.39 g/mol
LogP2.88
Rot. Bonds4

About (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine

(2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine (PubChem CID 166965559) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine.

Molecular Properties

Compound Name(2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine
PubChem CID166965559
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name(2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine
SMILESC=C(/C=C\C=C/C)[C@@H]1C[C@H](N)CCN1C(C)C
InChIInChI=1S/C15H26N2/c1-5-6-7-8-13(4)15-11-14(16)9-10-17(15)12(2)3/h5-8,12,14-15H,4,9-11,16H2,1-3H3/b6-5-,8-7-/t14-,15+/m1/s1
InChIKeyCQMJRVNAANBIJD-RDZHSKRASA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.88
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 (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine?
The IUPAC name of (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine (CID 166965559) is (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine.
What is the SMILES notation for (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine?
The canonical SMILES for (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine is C=C(/C=C\C=C/C)[C@@H]1C[C@H](N)CCN1C(C)C.
What is the InChIKey of (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine?
The InChIKey is CQMJRVNAANBIJD-RDZHSKRASA-N. The full InChI is InChI=1S/C15H26N2/c1-5-6-7-8-13(4)15-11-14(16)9-10-17(15)12(2)3/h5-8,12,14-15H,4,9-11,16H2,1-3H3/b6-5-,8-7-/t14-,15+/m1/s1.
What are the key properties of (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine?
(2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine has a molecular weight of 234.39 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-1-propan-2-ylpiperidin-4-amine is sourced from PubChem (CID 166965559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).