(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine

C16H28N2O — CID 166682670

IUPAC(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C/C(=C\N)N1CCC(OC)CC1)C(C)C
InChIInChI=1S/C16H28N2O/c1-5-14(13(2)3)6-7-15(12-17)18-10-8-16(19-4)9-11-18/h5-7,12-13,16H,8-11,17H2,1-4H3/b7-6-,14-5+,15-12+
InChIKeyDQOSDMFNFSUWRO-NYKSKJPQSA-N
MW264.41 g/mol
LogP3.06
Rot. Bonds5

About (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine

(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine (PubChem CID 166682670) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine.

Molecular Properties

Compound Name(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine
PubChem CID166682670
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine
SMILESC/C=C(\C=C/C(=C\N)N1CCC(OC)CC1)C(C)C
InChIInChI=1S/C16H28N2O/c1-5-14(13(2)3)6-7-15(12-17)18-10-8-16(19-4)9-11-18/h5-7,12-13,16H,8-11,17H2,1-4H3/b7-6-,14-5+,15-12+
InChIKeyDQOSDMFNFSUWRO-NYKSKJPQSA-N
XLogP3.06
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine?
The IUPAC name of (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine (CID 166682670) is (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine.
What is the SMILES notation for (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine?
The canonical SMILES for (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine is C/C=C(\C=C/C(=C\N)N1CCC(OC)CC1)C(C)C.
What is the InChIKey of (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine?
The InChIKey is DQOSDMFNFSUWRO-NYKSKJPQSA-N. The full InChI is InChI=1S/C16H28N2O/c1-5-14(13(2)3)6-7-15(12-17)18-10-8-16(19-4)9-11-18/h5-7,12-13,16H,8-11,17H2,1-4H3/b7-6-,14-5+,15-12+.
What are the key properties of (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine?
(1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine has a molecular weight of 264.41 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5Z)-2-(4-methoxypiperidin-1-yl)-5-propan-2-ylhepta-1,3,5-trien-1-amine is sourced from PubChem (CID 166682670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).