2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one

C14H25NO — CID 114478078

IUPAC2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
SMILESC=C(C)CCC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H25NO/c1-11(2)7-8-13(16)14(3,4)12-6-5-9-15-10-12/h12,15H,1,5-10H2,2-4H3
InChIKeyNQFXTLPMHDYYIQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.94
Rot. Bonds5

About 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one

2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one (PubChem CID 114478078) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one.

Molecular Properties

Compound Name2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
PubChem CID114478078
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one
SMILESC=C(C)CCC(=O)C(C)(C)C1CCCNC1
InChIInChI=1S/C14H25NO/c1-11(2)7-8-13(16)14(3,4)12-6-5-9-15-10-12/h12,15H,1,5-10H2,2-4H3
InChIKeyNQFXTLPMHDYYIQ-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-2-piperidin-3-ylhex-5-en-3-one
CID 116611253
4-methyl-1-methylsulfonyl-4-piperidin-3-ylpentan-3-one
CID 116611269
1-cyclopentyl-3-methyl-3-piperidin-3-ylbutan-2-one
CID 116611207
N,N-bis(2-hydroxyethyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83199754
5-ethyl-2-methyl-2-piperidin-3-ylheptan-3-one
CID 116611228
4-methyl-1-piperidin-3-ylpent-4-en-1-one
CID 114477848
2-[methyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]acetic acid
CID 83199032
3-[tert-butyl-(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198568
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
4-methyl-1-(1-methylimidazol-2-yl)-4-piperidin-3-ylpentan-3-one
CID 114533376
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
CID 171842996
N-(2-amino-2-oxoethyl)-N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83198334

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one?
The IUPAC name of 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one (CID 114478078) is 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one.
What is the SMILES notation for 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one?
The canonical SMILES for 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one is C=C(C)CCC(=O)C(C)(C)C1CCCNC1.
What is the InChIKey of 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one?
The InChIKey is NQFXTLPMHDYYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)7-8-13(16)14(3,4)12-6-5-9-15-10-12/h12,15H,1,5-10H2,2-4H3.
What are the key properties of 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one?
2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one has a molecular weight of 223.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2-piperidin-3-ylhept-6-en-3-one is sourced from PubChem (CID 114478078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).