1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one

C11H22N2O — CID 58975937

IUPAC1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CCNC)CC1
InChIInChI=1S/C11H22N2O/c1-3-11(14)13-8-5-10(6-9-13)4-7-12-2/h10,12H,3-9H2,1-2H3
InChIKeyVHTXYVWVKHQEKM-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds4

About 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one

1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one (PubChem CID 58975937) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
PubChem CID58975937
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(CCNC)CC1
InChIInChI=1S/C11H22N2O/c1-3-11(14)13-8-5-10(6-9-13)4-7-12-2/h10,12H,3-9H2,1-2H3
InChIKeyVHTXYVWVKHQEKM-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
[4-[2-(methylamino)ethyl]piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161245
1-[4-(3-methylbutyl)piperidin-1-yl]propan-1-one
CID 166753074
1-[4-[3-(methylamino)propyl]piperidin-1-yl]ethanone
CID 166684108
(3,5-dibromophenyl)-[4-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107973305
4-[3-(methylamino)propyl]piperidine-1-carboxylic acid
CID 154017805
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
CID 144853305
1-(4-ethylpiperidin-1-yl)-2-(methylamino)ethanone
CID 60963767
1-(3-ethylpyrrolidin-1-yl)propan-1-one
CID 90392056
N-(1-propanoylpiperidin-4-yl)formamide
CID 87856562
1-[4-(diethylaminomethyl)piperidin-1-yl]propan-1-one
CID 60776234
1-[4-(aminooxymethyl)piperidin-1-yl]propan-1-one
CID 39237865

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one (CID 58975937) is 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC(CCNC)CC1.
What is the InChIKey of 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
The InChIKey is VHTXYVWVKHQEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-3-11(14)13-8-5-10(6-9-13)4-7-12-2/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one?
1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(methylamino)ethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 58975937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).