2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone

C11H22N2O2 — CID 65036162

IUPAC2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
SMILESCC(CO)CNCC(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-10(9-14)7-12-8-11(15)13-5-3-2-4-6-13/h10,12,14H,2-9H2,1H3
InChIKeyVCTWZIXEOYYGCV-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.22
Rot. Bonds5

About 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone

2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone (PubChem CID 65036162) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
PubChem CID65036162
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
SMILESCC(CO)CNCC(=O)N1CCCCC1
InChIInChI=1S/C11H22N2O2/c1-10(9-14)7-12-8-11(15)13-5-3-2-4-6-13/h10,12,14H,2-9H2,1H3
InChIKeyVCTWZIXEOYYGCV-UHFFFAOYSA-N
XLogP0.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
CID 62691599
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
CID 83143576
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
1-(azepan-1-yl)-2-(1,3-dihydroxypropan-2-ylamino)ethanone
CID 65314653
2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126

Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone (CID 65036162) is 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone is CC(CO)CNCC(=O)N1CCCCC1.
What is the InChIKey of 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is VCTWZIXEOYYGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(9-14)7-12-8-11(15)13-5-3-2-4-6-13/h10,12,14H,2-9H2,1H3.
What are the key properties of 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone?
2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 214.31 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 65036162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).