1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one

C12H23NO2 — CID 79549260

IUPAC1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(O)CC1CCCCN1C(=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)12(15)13-7-5-4-6-11(13)8-10(3)14/h9-11,14H,4-8H2,1-3H3
InChIKeyKDDCQQXJAYRMTM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.79
Rot. Bonds3

About 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one

1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one (PubChem CID 79549260) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
PubChem CID79549260
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one
SMILESCC(O)CC1CCCCN1C(=O)C(C)C
InChIInChI=1S/C12H23NO2/c1-9(2)12(15)13-7-5-4-6-11(13)8-10(3)14/h9-11,14H,4-8H2,1-3H3
InChIKeyKDDCQQXJAYRMTM-UHFFFAOYSA-N
XLogP1.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylpropan-1-one
CID 104520556
1-[2-(2-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 79548971
cyclobutyl-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546457
1-[2-(2-aminoethyl)piperidin-1-yl]-2-methylpropan-1-one
CID 63755741
N-ethyl-2-(2-hydroxypropyl)-N-methylazepane-1-carboxamide
CID 79559941
ethyl (2S)-2-[(2R)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 56933985
1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 28706895
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 58333551
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylsulfonylethanone
CID 79548822
1-[2-(2-hydroxypropyl)azepan-1-yl]-4-methylpentan-1-one
CID 79560929
2-methyl-1-[2-[2-(oxetan-3-yl)ethyl]piperidin-1-yl]propan-1-one
CID 163969592
[2-(2-hydroxypropyl)piperidin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 79536980

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one (CID 79549260) is 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one is CC(O)CC1CCCCN1C(=O)C(C)C.
What is the InChIKey of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one?
The InChIKey is KDDCQQXJAYRMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)12(15)13-7-5-4-6-11(13)8-10(3)14/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one?
1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one has a molecular weight of 213.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 79549260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).