1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one

C14H28N2O3 — CID 112541586

IUPAC1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(NCCO)CC(C(O)CC)C1
InChIInChI=1S/C14H28N2O3/c1-3-5-14(19)16-9-11(13(18)4-2)8-12(10-16)15-6-7-17/h11-13,15,17-18H,3-10H2,1-2H3
InChIKeyBYDLTEVHRGLRJF-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.36
Rot. Bonds7

About 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one

1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one (PubChem CID 112541586) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
PubChem CID112541586
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CC(NCCO)CC(C(O)CC)C1
InChIInChI=1S/C14H28N2O3/c1-3-5-14(19)16-9-11(13(18)4-2)8-12(10-16)15-6-7-17/h11-13,15,17-18H,3-10H2,1-2H3
InChIKeyBYDLTEVHRGLRJF-UHFFFAOYSA-N
XLogP0.36
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(1-hydroxypropyl)-5-(propylamino)piperidine-1-carboxylate
CID 83990952
2-[3-(1-hydroxypropyl)-5-(propylamino)piperidin-1-yl]acetic acid
CID 83991296
1-[3-(cyclopentylmethylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83997868
1-[3-(benzylamino)-5-(1-hydroxyethyl)piperidin-1-yl]butan-1-one
CID 83993718
1-[1-cyclopropyl-5-(propylamino)piperidin-3-yl]propan-1-ol
CID 83991148
1-[3-(3-hydroxypropyl)-5-(2-methylpropylamino)piperidin-1-yl]butan-1-one
CID 83994409
3-(cyclopentylmethylamino)-5-(1-hydroxypropyl)piperidine-1-carboxamide
CID 83997808
1-[3-amino-5-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 83989163
1-[3-(2,2-dimethylpropylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83995101
1-[1-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]propan-1-ol
CID 83992705
1-[1-(2-hydroxyethyl)-5-(methylamino)piperidin-3-yl]propan-1-ol
CID 83990104
1-[3-ethyl-5-(methylamino)piperidin-1-yl]butan-1-one
CID 83989767

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one (CID 112541586) is 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one is CCCC(=O)N1CC(NCCO)CC(C(O)CC)C1.
What is the InChIKey of 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one?
The InChIKey is BYDLTEVHRGLRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-3-5-14(19)16-9-11(13(18)4-2)8-12(10-16)15-6-7-17/h11-13,15,17-18H,3-10H2,1-2H3.
What are the key properties of 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one?
1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one has a molecular weight of 272.39 g/mol, XLogP of 0.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethylamino)-5-(1-hydroxypropyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 112541586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).