4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one

C13H25NO — CID 70915057

IUPAC4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
SMILESCC1CCN(C(=O)CCC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-11-6-9-14(10-7-11)12(15)5-8-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZBCAYRQZWWBOFN-UHFFFAOYSA-N
MW211.35 g/mol
LogP3.07
Rot. Bonds2

About 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one

4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one (PubChem CID 70915057) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
PubChem CID70915057
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one
SMILESCC1CCN(C(=O)CCC(C)(C)C)CC1
InChIInChI=1S/C13H25NO/c1-11-6-9-14(10-7-11)12(15)5-8-13(2,3)4/h11H,5-10H2,1-4H3
InChIKeyZBCAYRQZWWBOFN-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4,4-dimethylpentanoyl)piperidine-4-carboxamide
CID 119137408
2-[1-(4,4-dimethylpentanoyl)piperidin-4-yl]acetic acid
CID 119178332
1-(4-methylpiperidin-1-yl)hexane-1,5-dione
CID 156884864
1-[4-(2-chloroethoxy)piperidin-1-yl]-4,4-dimethylpentan-1-one
CID 114212917
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
5,5-dimethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 119564039
1-(4-methylpiperidin-1-yl)tetradecan-1-one
CID 10425459
tert-butyl N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]carbamate
CID 24689329
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
1-[4-[3-(tert-butylamino)propanoyl]piperazin-1-yl]-4,4-dimethylpentan-1-one
CID 167119689
1-(3,5-dimethylpiperazin-1-yl)-4,4-dimethylpentan-1-one;hydrochloride
CID 119564749

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one (CID 70915057) is 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one is CC1CCN(C(=O)CCC(C)(C)C)CC1.
What is the InChIKey of 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one?
The InChIKey is ZBCAYRQZWWBOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-11-6-9-14(10-7-11)12(15)5-8-13(2,3)4/h11H,5-10H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one?
4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one has a molecular weight of 211.35 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-methylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 70915057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).