[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride

C14H27ClN2O — CID 119436126

IUPAC[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
SMILESCCC1(C)CC1C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-4-14(3)9-11(14)13(17)16-8-6-5-7-12(16)10(2)15;/h10-12H,4-9,15H2,1-3H3;1H
InChIKeyBLFFIVOJRKMAOG-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.57
Rot. Bonds3

About [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride

[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride (PubChem CID 119436126) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
PubChem CID119436126
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Name[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
SMILESCCC1(C)CC1C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C14H26N2O.ClH/c1-4-14(3)9-11(14)13(17)16-8-6-5-7-12(16)10(2)15;/h10-12H,4-9,15H2,1-3H3;1H
InChIKeyBLFFIVOJRKMAOG-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-(7-bicyclo[4.1.0]heptanyl)methanone;hydrochloride
CID 119436103
1-[2-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119435731
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone;hydrochloride
CID 119434405
1-[2-[2-(1-aminoethyl)piperidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 119434406
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 114875604
1-[2-(1-aminoethyl)piperidin-1-yl]-2-propylsulfanylethanone;hydrochloride
CID 119435761
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
(4-aminopiperidin-1-yl)-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride
CID 119374902
[(1R,3R)-3-aminocyclohexyl]-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]methanone
CID 129414979

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
The IUPAC name of [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride (CID 119436126) is [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride.
What is the SMILES notation for [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
The canonical SMILES for [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride is CCC1(C)CC1C(=O)N1CCCCC1C(C)N.Cl.
What is the InChIKey of [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
The InChIKey is BLFFIVOJRKMAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O.ClH/c1-4-14(3)9-11(14)13(17)16-8-6-5-7-12(16)10(2)15;/h10-12H,4-9,15H2,1-3H3;1H.
What are the key properties of [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride?
[2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride has a molecular weight of 274.84 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)piperidin-1-yl]-(2-ethyl-2-methylcyclopropyl)methanone;hydrochloride is sourced from PubChem (CID 119436126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).