2,5-dimethyl-5-piperidin-1-ylheptan-4-one

C14H27NO — CID 79064976

IUPAC2,5-dimethyl-5-piperidin-1-ylheptan-4-one
SMILESCCC(C)(C(=O)CC(C)C)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h12H,5-11H2,1-4H3
InChIKeyFAKFXWUYTDIMMG-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.26
Rot. Bonds5

About 2,5-dimethyl-5-piperidin-1-ylheptan-4-one

2,5-dimethyl-5-piperidin-1-ylheptan-4-one (PubChem CID 79064976) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,5-dimethyl-5-piperidin-1-ylheptan-4-one.

Molecular Properties

Compound Name2,5-dimethyl-5-piperidin-1-ylheptan-4-one
PubChem CID79064976
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,5-dimethyl-5-piperidin-1-ylheptan-4-one
SMILESCCC(C)(C(=O)CC(C)C)N1CCCCC1
InChIInChI=1S/C14H27NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h12H,5-11H2,1-4H3
InChIKeyFAKFXWUYTDIMMG-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-5-piperidin-1-ylheptan-4-one?
The IUPAC name of 2,5-dimethyl-5-piperidin-1-ylheptan-4-one (CID 79064976) is 2,5-dimethyl-5-piperidin-1-ylheptan-4-one.
What is the SMILES notation for 2,5-dimethyl-5-piperidin-1-ylheptan-4-one?
The canonical SMILES for 2,5-dimethyl-5-piperidin-1-ylheptan-4-one is CCC(C)(C(=O)CC(C)C)N1CCCCC1.
What is the InChIKey of 2,5-dimethyl-5-piperidin-1-ylheptan-4-one?
The InChIKey is FAKFXWUYTDIMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-14(4,13(16)11-12(2)3)15-9-7-6-8-10-15/h12H,5-11H2,1-4H3.
What are the key properties of 2,5-dimethyl-5-piperidin-1-ylheptan-4-one?
2,5-dimethyl-5-piperidin-1-ylheptan-4-one has a molecular weight of 225.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-5-piperidin-1-ylheptan-4-one is sourced from PubChem (CID 79064976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).