1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone

C14H27N3O2 — CID 107218340

IUPAC1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)N1CCCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c18-10-9-16-5-2-6-17(8-7-16)14(19)11-13-3-1-4-15-12-13/h13,15,18H,1-12H2
InChIKeyZUBFCIQEWZBXAZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP-0.10
Rot. Bonds4

About 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone

1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone (PubChem CID 107218340) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone.

Molecular Properties

Compound Name1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
PubChem CID107218340
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone
SMILESO=C(CC1CCCNC1)N1CCCN(CCO)CC1
InChIInChI=1S/C14H27N3O2/c18-10-9-16-5-2-6-17(8-7-16)14(19)11-13-3-1-4-15-12-13/h13,15,18H,1-12H2
InChIKeyZUBFCIQEWZBXAZ-UHFFFAOYSA-N
XLogP-0.10
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-4-ylethanone
CID 107218250
2-[4-[[(3S)-piperidin-3-yl]methyl]piperazin-1-yl]ethanol
CID 86323269
2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
2-piperidin-3-yl-1-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634230
2-cyclopentyl-1-[4-(piperidine-3-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119282220
1-(1-oxo-1,4-thiazinan-4-yl)-2-piperidin-3-ylethanone
CID 62691071
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-piperidin-3-ylethanone
CID 106835886
1-(3-azaspiro[5.5]undecan-3-yl)-2-piperidin-3-ylethanone
CID 62932288
1-methyl-4-(2-piperidin-3-ylacetyl)piperazin-2-one
CID 64682024
1-(4-methoxypiperidin-1-yl)-2-piperidin-3-ylethanone
CID 62690713
1-[4-(4-aminobutyl)-1,4-diazepan-1-yl]-2-cyclobutylethanone
CID 103161379
2-cyclobutyl-1-(4-piperidin-3-ylpiperazin-1-yl)ethanone
CID 115277281

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone?
The IUPAC name of 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone (CID 107218340) is 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone.
What is the SMILES notation for 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone?
The canonical SMILES for 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone is O=C(CC1CCCNC1)N1CCCN(CCO)CC1.
What is the InChIKey of 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone?
The InChIKey is ZUBFCIQEWZBXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c18-10-9-16-5-2-6-17(8-7-16)14(19)11-13-3-1-4-15-12-13/h13,15,18H,1-12H2.
What are the key properties of 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone?
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone has a molecular weight of 269.39 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-piperidin-3-ylethanone is sourced from PubChem (CID 107218340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).