1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one

C14H25NO3 — CID 62357278

IUPAC1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)N1CCCC(CCO)C1
InChIInChI=1S/C14H25NO3/c16-9-7-12-3-1-8-15(11-12)14(17)6-5-13-4-2-10-18-13/h12-13,16H,1-11H2
InChIKeyZEWNCLSFVBEEGR-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.57
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one

1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one (PubChem CID 62357278) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
PubChem CID62357278
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
SMILESO=C(CCC1CCCO1)N1CCCC(CCO)C1
InChIInChI=1S/C14H25NO3/c16-9-7-12-3-1-8-15(11-12)14(17)6-5-13-4-2-10-18-13/h12-13,16H,1-11H2
InChIKeyZEWNCLSFVBEEGR-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 62048304
1-(3-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 47026166
3-[(3R)-1-[2-[(2R)-oxolan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124512411
1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(oxolan-2-yl)propan-1-one
CID 79031161
3-bromo-1-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107216510
[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103855486
1-[3-(bromomethyl)pyrrolidin-1-yl]-3-(oxan-2-yl)propan-1-one
CID 80667375
1-(3-hydroxyazetidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 63106049
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
3-[(3R)-1-[2-[(2R)-oxan-2-yl]acetyl]piperidin-3-yl]propanoic acid
CID 124517290
2-chloro-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107216511
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(oxolan-2-yl)propan-1-one
CID 103900586

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one (CID 62357278) is 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one is O=C(CCC1CCCO1)N1CCCC(CCO)C1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
The InChIKey is ZEWNCLSFVBEEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c16-9-7-12-3-1-8-15(11-12)14(17)6-5-13-4-2-10-18-13/h12-13,16H,1-11H2.
What are the key properties of 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one?
1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one is sourced from PubChem (CID 62357278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).