2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one

C13H25NO — CID 176724060

IUPAC2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
SMILESCC(C)CN1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)9-14-7-5-12(6-8-14)13(15)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyUDTXSNNONMLZAP-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds4

About 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one

2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one (PubChem CID 176724060) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
PubChem CID176724060
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one
SMILESCC(C)CN1CCC(C(=O)C(C)C)CC1
InChIInChI=1S/C13H25NO/c1-10(2)9-14-7-5-12(6-8-14)13(15)11(3)4/h10-12H,5-9H2,1-4H3
InChIKeyUDTXSNNONMLZAP-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Tert-butyl-2,3-dimethylpiperidin-4-one;hydrochloride
CID 9551274
2,3-Dimethyl-1-(propan-2-yl)piperidin-4-one hydrochloride
CID 9551275
1-(1-Methylpiperidin-4-yl)ethan-1-one
CID 339122
1-(1-Methylpiperidin-3-yl)ethan-1-one
CID 13266409
1-Ethyl-3-methylpiperidin-4-one
CID 2733442
Piperidin-4-one, 1-tert-butyl-2,3-dimethyl-
CID 4434865
1-(1,1-Dimethylpiperidin-1-ium-4-yl)ethanone
CID 13994779
1,2,3-Trimethylpiperidin-4-one
CID 3908829
1,3,5-Trimethylpiperidin-4-one
CID 3928384
1,2,5-Trimethyl-4-piperidinone
CID 551042
1-Piperidin-4-Ylbutan-1-One
CID 17781806
1-(Tert-butyl)-4-methylpiperidin-3-one
CID 580916

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one (CID 176724060) is 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one is CC(C)CN1CCC(C(=O)C(C)C)CC1.
What is the InChIKey of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one?
The InChIKey is UDTXSNNONMLZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)9-14-7-5-12(6-8-14)13(15)11(3)4/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one?
2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one has a molecular weight of 211.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(2-methylpropyl)piperidin-4-yl]propan-1-one is sourced from PubChem (CID 176724060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).