1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride

C12H25ClN2O2 — CID 119435646

IUPAC1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride
SMILESCOCC(C)C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(8-16-3)12(15)14-7-5-4-6-11(14)10(2)13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyPQWNZDQHRUOXQF-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride

1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride (PubChem CID 119435646) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride
PubChem CID119435646
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride
SMILESCOCC(C)C(=O)N1CCCCC1C(C)N.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-9(8-16-3)12(15)14-7-5-4-6-11(14)10(2)13;/h9-11H,4-8,13H2,1-3H3;1H
InChIKeyPQWNZDQHRUOXQF-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-aminoethyl)piperidin-1-yl]-2-methyl-3-[4-(trifluoromethyl)phenyl]propan-1-one;hydrochloride
CID 119435208
1-[2-(1-aminoethyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 112701185
1-[2-(1-aminoethyl)piperidin-1-yl]-2-butylsulfanylpropan-1-one;hydrochloride
CID 119435590
N-[(2R)-1-[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569307
1-[2-(1-aminoethyl)piperidin-1-yl]pentan-1-one
CID 63255456
N-[(2R)-1-[(2S)-2-[(1S)-1-aminoethyl]piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 124569304
[2-(1-aminoethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79161243
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493927
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
[2-(1-aminoethyl)piperidin-1-yl]-[4-(methoxymethyl)phenyl]methanone;hydrochloride
CID 119436994
[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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride (CID 119435646) is 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride is COCC(C)C(=O)N1CCCCC1C(C)N.Cl.
What is the InChIKey of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride?
The InChIKey is PQWNZDQHRUOXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-9(8-16-3)12(15)14-7-5-4-6-11(14)10(2)13;/h9-11H,4-8,13H2,1-3H3;1H.
What are the key properties of 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride?
1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-aminoethyl)piperidin-1-yl]-3-methoxy-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119435646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).