(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride

C12H23ClN2O — CID 119374902

IUPAC(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
SMILESCCC1(C)CC1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-12(2)8-10(12)11(15)14-6-4-9(13)5-7-14;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyTWTMQBWYKYXLIR-UHFFFAOYSA-N
MW246.78 g/mol
LogP1.79
Rot. Bonds2

About (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride

(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride (PubChem CID 119374902) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
PubChem CID119374902
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
SMILESCCC1(C)CC1C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-3-12(2)8-10(12)11(15)14-6-4-9(13)5-7-14;/h9-10H,3-8,13H2,1-2H3;1H
InChIKeyTWTMQBWYKYXLIR-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119374903
(2-ethyl-2-methylcyclopropyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561939
(3-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone
CID 119379514
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone
CID 119623579
[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119436126
(4-aminopiperidin-1-yl)-(1-methylcyclopropyl)methanone;hydrochloride
CID 166001469
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
(4-aminopiperidin-1-yl)-(2-ethoxycyclopropyl)methanone;hydrochloride
CID 119376824
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
CID 119374175
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 120744511
1-(4-aminopiperidin-1-yl)ethanone;pentane
CID 142969821

Frequently Asked Questions

What is the IUPAC name of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
The IUPAC name of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride (CID 119374902) is (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride is CCC1(C)CC1C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
The InChIKey is TWTMQBWYKYXLIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-3-12(2)8-10(12)11(15)14-6-4-9(13)5-7-14;/h9-10H,3-8,13H2,1-2H3;1H.
What are the key properties of (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119374902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).