2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride

C12H23ClN2O2 — CID 119697100

IUPAC2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
SMILESCOC1CCN(C(=O)CNCC2CC2)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-16-11-4-6-14(7-5-11)12(15)9-13-8-10-2-3-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyONYYFSINJWDGSG-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.05
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride

2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride (PubChem CID 119697100) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
PubChem CID119697100
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride
SMILESCOC1CCN(C(=O)CNCC2CC2)CC1.Cl
InChIInChI=1S/C12H22N2O2.ClH/c1-16-11-4-6-14(7-5-11)12(15)9-13-8-10-2-3-10;/h10-11,13H,2-9H2,1H3;1H
InChIKeyONYYFSINJWDGSG-UHFFFAOYSA-N
XLogP1.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-1-[(3S)-3-methoxypyrrolidin-1-yl]ethanone;hydrochloride
CID 119791443
2-(cyclopropylmethylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61217045
2-(cyclopropylmethylamino)-1-[4-(2-methylpropoxy)piperidin-1-yl]ethanone
CID 119743037
2-(cyclopropylmethylamino)-1-[3-(2-methylpropoxy)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119821813
1-(4-acetyl-1,4-diazepan-1-yl)-2-(cyclopropylmethylamino)ethanone;hydrochloride
CID 119399355
2-(cyclopropylmethylamino)-1-[4-(2-methoxyethyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119838548
ethyl 4-[2-(cyclopropylmethylamino)acetyl]piperazine-1-carboxylate
CID 54916262
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
N-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-4-yl]-N-ethylmethanesulfonamide;hydrochloride
CID 119780859
2-[(4-ethylcyclohexyl)methylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 60973098
2-(cyclopropylmethylamino)-1-(4,4-diethylpiperidin-1-yl)ethanone
CID 63163435
2-(2-methoxyethylamino)-1-(3-methoxypyrrolidin-1-yl)ethanone
CID 103532856

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride (CID 119697100) is 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride is COC1CCN(C(=O)CNCC2CC2)CC1.Cl.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is ONYYFSINJWDGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2.ClH/c1-16-11-4-6-14(7-5-11)12(15)9-13-8-10-2-3-10;/h10-11,13H,2-9H2,1H3;1H.
What are the key properties of 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride?
2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 262.78 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(4-methoxypiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 119697100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).