3-methyl-1-piperidin-3-ylpentan-2-one

C11H21NO — CID 116564111

IUPAC3-methyl-1-piperidin-3-ylpentan-2-one
SMILESCCC(C)C(=O)CC1CCCNC1
InChIInChI=1S/C11H21NO/c1-3-9(2)11(13)7-10-5-4-6-12-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyYCLLSXCDVRBGCC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.99
Rot. Bonds4

About 3-methyl-1-piperidin-3-ylpentan-2-one

3-methyl-1-piperidin-3-ylpentan-2-one (PubChem CID 116564111) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-1-piperidin-3-ylpentan-2-one.

Molecular Properties

Compound Name3-methyl-1-piperidin-3-ylpentan-2-one
PubChem CID116564111
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-1-piperidin-3-ylpentan-2-one
SMILESCCC(C)C(=O)CC1CCCNC1
InChIInChI=1S/C11H21NO/c1-3-9(2)11(13)7-10-5-4-6-12-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyYCLLSXCDVRBGCC-UHFFFAOYSA-N
XLogP1.99
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
(3R)-3-[(2S)-2-methylbutyl]piperidine
CID 11744861
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
S-methyl 2-piperidin-3-ylethanethioate
CID 117125822
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
N-(2-hydroxypropyl)-2-piperidin-3-ylacetamide
CID 62674871
N-methyl-N-(2-methylpropyl)-2-piperidin-3-ylacetamide
CID 62690193
N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 86317945
N-ethyl-2-[(2-piperidin-3-ylacetyl)amino]propanamide
CID 62691243
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
2-ethyl-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462909
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-3-ylpentan-2-one?
The IUPAC name of 3-methyl-1-piperidin-3-ylpentan-2-one (CID 116564111) is 3-methyl-1-piperidin-3-ylpentan-2-one.
What is the SMILES notation for 3-methyl-1-piperidin-3-ylpentan-2-one?
The canonical SMILES for 3-methyl-1-piperidin-3-ylpentan-2-one is CCC(C)C(=O)CC1CCCNC1.
What is the InChIKey of 3-methyl-1-piperidin-3-ylpentan-2-one?
The InChIKey is YCLLSXCDVRBGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-9(2)11(13)7-10-5-4-6-12-8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 3-methyl-1-piperidin-3-ylpentan-2-one?
3-methyl-1-piperidin-3-ylpentan-2-one has a molecular weight of 183.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-3-ylpentan-2-one is sourced from PubChem (CID 116564111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).