2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone

C14H27N3O2 — CID 63309739

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCN(CCO)CC1)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c18-12-11-15-5-4-6-16(10-9-15)13-14(19)17-7-2-1-3-8-17/h18H,1-13H2
InChIKeyMXBGIXXHWNGKRC-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.00
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone (PubChem CID 63309739) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone
PubChem CID63309739
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCN(CCO)CC1)N1CCCCC1
InChIInChI=1S/C14H27N3O2/c18-12-11-15-5-4-6-16(10-9-15)13-14(19)17-7-2-1-3-8-17/h18H,1-13H2
InChIKeyMXBGIXXHWNGKRC-UHFFFAOYSA-N
XLogP-0.00
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Azepan-1-yl)-2-(4-(2-hydroxypropyl)piperazin-1-yl)ethanone dihydrochloride
CID 71783365
1-(Azepan-1-yl)-2-(4-hydroxypiperidin-1-yl)ethan-1-one
CID 45794428
2-((2-Hydroxyethyl)(methyl)amino)-1-(2-methylpiperidin-1-yl)ethan-1-one
CID 60683912
1-(azepan-1-yl)-2-[[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-methylamino]ethanone
CID 97328808
2-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-1-piperidin-1-ylethanone
CID 113965058
1-(Azepan-1-yl)-2-[4-(2-hydroxypropyl)piperazin-1-yl]ethanone
CID 71783366
2-{N-[2-Oxo-2-(perhydro-1-azepinyl]ethyl]methylamino}ethanol
CID 14499650
4-(2-Hydroxyethyl)-1-methyl-1,4-diazepan-2-one
CID 19841698
4-(2-Piperidin-1-ylacetyl)-1,4-diazepane-1-carboxylic acid
CID 67493407
N-(2-hydroxyethyl)-N-(2-piperidin-1-ylethyl)acetamide
CID 69031565
2-hydroxy-N-methyl-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 156260961
1-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-piperidin-1-ylethanone
CID 177758834

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone (CID 63309739) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone is O=C(CN1CCCN(CCO)CC1)N1CCCCC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is MXBGIXXHWNGKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-12-11-15-5-4-6-16(10-9-15)13-14(19)17-7-2-1-3-8-17/h18H,1-13H2.
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 269.39 g/mol, XLogP of -0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 63309739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).