bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone

C15H28N2O3 — CID 175316755

IUPACbis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)N2CCC(C(C)O)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-11(18)13-3-7-16(8-4-13)15(20)17-9-5-14(6-10-17)12(2)19/h11-14,18-19H,3-10H2,1-2H3
InChIKeyXPVDRVHRKAGWGJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.29
Rot. Bonds2

About bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone

bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 175316755) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namebis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
PubChem CID175316755
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Namebis[4-(1-hydroxyethyl)piperidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)N2CCC(C(C)O)CC2)CC1
InChIInChI=1S/C15H28N2O3/c1-11(18)13-3-7-16(8-4-13)15(20)17-9-5-14(6-10-17)12(2)19/h11-14,18-19H,3-10H2,1-2H3
InChIKeyXPVDRVHRKAGWGJ-UHFFFAOYSA-N
XLogP1.29
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835725
2-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]-2-oxoacetic acid
CID 124680668
(2R)-2-chloro-1-[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129410243
2-chloro-1-[4-(1-hydroxyethyl)piperidin-1-yl]ethanone
CID 103881627
(4-methylpiperazin-1-yl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 155200064
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 103810252
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 129412705
4-hydroxy-1-[4-(1-hydroxyethyl)piperidin-1-yl]pentan-1-one
CID 106741495
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106836777
[4-[(1R)-1-hydroxyethyl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 129371132
1-[4-(1-hydroxyethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 106837028
[4-(1-hydroxyethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 112537685

Frequently Asked Questions

What is the IUPAC name of bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The IUPAC name of bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone (CID 175316755) is bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone is CC(O)C1CCN(C(=O)N2CCC(C(C)O)CC2)CC1.
What is the InChIKey of bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
The InChIKey is XPVDRVHRKAGWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-11(18)13-3-7-16(8-4-13)15(20)17-9-5-14(6-10-17)12(2)19/h11-14,18-19H,3-10H2,1-2H3.
What are the key properties of bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone?
bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 284.40 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(1-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 175316755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).