1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane

C12H26N2O — CID 145315746

IUPAC1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
SMILESCC.CCC1(CN)CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N2O.C2H6/c1-3-10(8-11)4-6-12(7-5-10)9(2)13;1-2/h3-8,11H2,1-2H3;1-2H3
InChIKeyCVEXQDSCCBYLAG-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.01
Rot. Bonds2

About 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane

1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane (PubChem CID 145315746) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
PubChem CID145315746
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane
SMILESCC.CCC1(CN)CCN(C(C)=O)CC1
InChIInChI=1S/C10H20N2O.C2H6/c1-3-10(8-11)4-6-12(7-5-10)9(2)13;1-2/h3-8,11H2,1-2H3;1-2H3
InChIKeyCVEXQDSCCBYLAG-UHFFFAOYSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-acetyl-4-ethylpiperidin-4-yl)acetaldehyde
CID 170137640
[1-(aminomethyl)cyclopropyl]-(4,4-diethylpiperidin-1-yl)methanone
CID 80598636
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]ethanone
CID 165440310
1-(4,4-diethylpiperidin-1-yl)-2-methylpropan-1-one;ethane
CID 91334879
1-(3,3-diethylpiperidin-1-yl)ethanone
CID 89177702
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
1-(4,4-dimethylpiperidin-1-yl)ethanone;propane
CID 166079085
5-amino-1-(4,4-diethylpiperidin-1-yl)-2-methylpentan-1-one
CID 113441000
1-[4-ethyl-4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 126758683
1-(4-ethyl-4-methoxypiperidin-1-yl)ethanone
CID 91369104
5-amino-1-(3,3-diethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 82688893
1-[4-(aminomethyl)-4-ethyl-1-methylcyclohexyl]propan-1-one
CID 143342094

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane?
The IUPAC name of 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane (CID 145315746) is 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane.
What is the SMILES notation for 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane?
The canonical SMILES for 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane is CC.CCC1(CN)CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane?
The InChIKey is CVEXQDSCCBYLAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H6/c1-3-10(8-11)4-6-12(7-5-10)9(2)13;1-2/h3-8,11H2,1-2H3;1-2H3.
What are the key properties of 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane?
1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane has a molecular weight of 214.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)-4-ethylpiperidin-1-yl]ethanone;ethane is sourced from PubChem (CID 145315746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).