2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

C17H33Cl2N3O2 — CID 91645723

IUPAC2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CCCO1)N1CCCC(N2CCCCC2)C1
InChIInChI=1S/C17H31N3O2.2ClH/c21-17(13-18-12-16-7-5-11-22-16)20-10-4-6-15(14-20)19-8-2-1-3-9-19;;/h15-16,18H,1-14H2;2*1H
InChIKeyAAULRQWMVYVEHH-UHFFFAOYSA-N
MW382.38 g/mol
LogP2.08
Rot. Bonds5

About 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride

2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (PubChem CID 91645723) has the molecular formula C17H33Cl2N3O2 and a molecular weight of 382.38 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
PubChem CID91645723
Molecular FormulaC17H33Cl2N3O2
Molecular Weight382.38 g/mol
Exact Mass381.19
IUPAC Name2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.O=C(CNCC1CCCO1)N1CCCC(N2CCCCC2)C1
InChIInChI=1S/C17H31N3O2.2ClH/c21-17(13-18-12-16-7-5-11-22-16)20-10-4-6-15(14-20)19-8-2-1-3-9-19;;/h15-16,18H,1-14H2;2*1H
InChIKeyAAULRQWMVYVEHH-UHFFFAOYSA-N
XLogP2.08
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 7437129
2-(oxan-2-ylmethylamino)-1-piperidin-1-ylethanone
CID 54948766
1-[(2S)-2-methylpiperidin-1-yl]-2-[[(2R)-oxolan-2-yl]methylamino]ethanone
CID 1439792
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
1-[(2R)-2-(2-chlorophenyl)morpholin-4-yl]-2-[[(2S)-oxolan-2-yl]methylamino]ethanone
CID 124695340
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119827710
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-1-[(3S)-3-pyrrolidin-1-ylpiperidin-1-yl]propan-1-one
CID 100899754
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
2-(cyclopropylmethylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone;hydrochloride
CID 119700516
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119843545

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride (CID 91645723) is 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is Cl.Cl.O=C(CNCC1CCCO1)N1CCCC(N2CCCCC2)C1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
The InChIKey is AAULRQWMVYVEHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2.2ClH/c21-17(13-18-12-16-7-5-11-22-16)20-10-4-6-15(14-20)19-8-2-1-3-9-19;;/h15-16,18H,1-14H2;2*1H.
What are the key properties of 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride?
2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride has a molecular weight of 382.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-1-(3-piperidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 91645723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).