4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one

C15H28N2O — CID 175432940

IUPAC4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.CC1(C)CCNCC1
InChIInChI=1S/C8H13NO.C7H15N/c1-2-8(10)9-6-4-3-5-7-9;1-7(2)3-5-8-6-4-7/h2H,1,3-7H2;8H,3-6H2,1-2H3
InChIKeyOKUKGHYTEUGBOG-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.58
Rot. Bonds1

About 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one

4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one (PubChem CID 175432940) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
PubChem CID175432940
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one
SMILESC=CC(=O)N1CCCCC1.CC1(C)CCNCC1
InChIInChI=1S/C8H13NO.C7H15N/c1-2-8(10)9-6-4-3-5-7-9;1-7(2)3-5-8-6-4-7/h2H,1,3-7H2;8H,3-6H2,1-2H3
InChIKeyOKUKGHYTEUGBOG-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)prop-2-en-1-one;1-piperidin-1-ylprop-2-en-1-one
CID 70520596
acetaldehyde;1-pyrrolidin-1-ylprop-2-en-1-one
CID 156736748
1-(4,4-dimethylpiperidin-1-yl)prop-2-en-1-one;ethane;propane
CID 167457745
1-(azetidin-1-yl)prop-2-en-1-one
CID 25230596
1-piperidin-1-ylprop-2-en-1-one;prop-2-enamide
CID 70414957
azepan-1-yl-(4-methylpiperidin-4-yl)methanone
CID 63121497
1-[(3S)-3-amino-3-methylpiperidin-1-yl]prop-2-en-1-one
CID 144855598
N-(4-methylpiperidin-4-yl)azepane-1-carboxamide
CID 114696669
1-pyrrolidin-1-ylprop-2-en-1-one;N,N,2-trimethylprop-2-enamide
CID 70414233
CID 169213217
CID 169213217
1-(3-methoxy-3-methylpiperidin-1-yl)prop-2-en-1-one
CID 107390999
azepan-1-yl-(3-methylpyrrolidin-3-yl)methanone;hydrochloride
CID 119669541

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
The IUPAC name of 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one (CID 175432940) is 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one.
What is the SMILES notation for 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
The canonical SMILES for 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one is C=CC(=O)N1CCCCC1.CC1(C)CCNCC1.
What is the InChIKey of 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
The InChIKey is OKUKGHYTEUGBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO.C7H15N/c1-2-8(10)9-6-4-3-5-7-9;1-7(2)3-5-8-6-4-7/h2H,1,3-7H2;8H,3-6H2,1-2H3.
What are the key properties of 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one?
4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethylpiperidine;1-piperidin-1-ylprop-2-en-1-one is sourced from PubChem (CID 175432940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).