2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one

C15H24N2O — CID 123800820

IUPAC2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one
SMILESC=CC(=C)CC(=C)C1(C(=O)C(C)N)CCNCC1
InChIInChI=1S/C15H24N2O/c1-5-11(2)10-12(3)15(14(18)13(4)16)6-8-17-9-7-15/h5,13,17H,1-3,6-10,16H2,4H3
InChIKeyZSDRJABSCRGPHQ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.96
Rot. Bonds6

About 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one

2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one (PubChem CID 123800820) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one
PubChem CID123800820
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one
SMILESC=CC(=C)CC(=C)C1(C(=O)C(C)N)CCNCC1
InChIInChI=1S/C15H24N2O/c1-5-11(2)10-12(3)15(14(18)13(4)16)6-8-17-9-7-15/h5,13,17H,1-3,6-10,16H2,4H3
InChIKeyZSDRJABSCRGPHQ-UHFFFAOYSA-N
XLogP1.96
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(6-Amino-1,5-dimethylcyclohexa-2,4-dien-1-yl)-piperidin-2-ylmethanone
CID 67612162
1-[(3R)-3-prop-2-enylpiperidin-3-yl]pentan-3-one
CID 153493125
1-(4-Methylpiperidin-4-yl)oct-7-en-1-one
CID 107010855
1-(4-Ethylpiperidin-4-yl)oct-7-en-1-one
CID 107010857
1-(4-Propylpiperidin-4-yl)oct-7-en-1-one
CID 107010861
4-Methyl-1-(4-methylpiperidin-4-yl)pent-4-en-1-one
CID 114477924
1-(4-Ethylpiperidin-4-yl)-4-methylpent-4-en-1-one
CID 114477925
4-Methyl-1-(4-propylpiperidin-4-yl)pent-4-en-1-one
CID 114477929
2,6-Dimethyl-2-piperidin-3-ylhept-6-en-3-one
CID 114478078
1-Piperidin-3-ylpent-4-en-2-one
CID 116564083
1-(4-Methylpiperidin-4-yl)but-3-en-1-one
CID 116567477
1-(4-Methylpiperidin-4-yl)pent-4-en-1-one
CID 116567530

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one?
The IUPAC name of 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one (CID 123800820) is 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one is C=CC(=C)CC(=C)C1(C(=O)C(C)N)CCNCC1.
What is the InChIKey of 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one?
The InChIKey is ZSDRJABSCRGPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-11(2)10-12(3)15(14(18)13(4)16)6-8-17-9-7-15/h5,13,17H,1-3,6-10,16H2,4H3.
What are the key properties of 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one?
2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one has a molecular weight of 248.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methylidenehexa-1,5-dien-2-yl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 123800820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).