1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane

C12H25NO — CID 178173613

IUPAC1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane
SMILESCC.CCC(=O)C1(C)CCCN(C)C1
InChIInChI=1S/C10H19NO.C2H6/c1-4-9(12)10(2)6-5-7-11(3)8-10;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyPMDIAMXJTGGNRN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.72
Rot. Bonds2

About 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane

1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane (PubChem CID 178173613) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane.

Molecular Properties

Compound Name1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane
PubChem CID178173613
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane
SMILESCC.CCC(=O)C1(C)CCCN(C)C1
InChIInChI=1S/C10H19NO.C2H6/c1-4-9(12)10(2)6-5-7-11(3)8-10;1-2/h4-8H2,1-3H3;1-2H3
InChIKeyPMDIAMXJTGGNRN-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-ethyl-1-methylpiperidin-3-ol
CID 177186761
2-(3-fluoro-1-methylpiperidin-3-yl)acetic acid
CID 83816582
(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
2-(3-hydroxy-1-methylpiperidin-3-yl)acetic acid
CID 80503158
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
2-(3-amino-1-methylpiperidin-3-yl)acetamide
CID 83682898
2-(1,3-dimethylazepan-3-yl)acetic acid
CID 134365428
3,3-difluoro-1-methylpiperidine;ethane
CID 143170992
1,3,3-trimethylazepane
CID 18711354
ethyl (E)-3-(3-fluoro-1-methylpiperidin-3-yl)prop-2-enoate
CID 155238178
(1,3-dimethylpiperidin-3-yl) 2,3-dibromopropanoate
CID 162508064
ethane;2-ethyl-8-methyl-2,8-diazaspiro[3.5]nonane
CID 177048791

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane?
The IUPAC name of 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane (CID 178173613) is 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane.
What is the SMILES notation for 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane?
The canonical SMILES for 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane is CC.CCC(=O)C1(C)CCCN(C)C1.
What is the InChIKey of 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane?
The InChIKey is PMDIAMXJTGGNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C2H6/c1-4-9(12)10(2)6-5-7-11(3)8-10;1-2/h4-8H2,1-3H3;1-2H3.
What are the key properties of 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane?
1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane has a molecular weight of 199.34 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpiperidin-3-yl)propan-1-one;ethane is sourced from PubChem (CID 178173613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).