1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C13H25NO2 — CID 112537597

IUPAC1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCC(O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-5-11(15)10-6-8-14(9-7-10)12(16)13(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyKBZYZFKYBHCZPH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.04
Rot. Bonds2

About 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 112537597) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID112537597
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCCC(O)C1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C13H25NO2/c1-5-11(15)10-6-8-14(9-7-10)12(16)13(2,3)4/h10-11,15H,5-9H2,1-4H3
InChIKeyKBZYZFKYBHCZPH-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537598
1-[4-(2-dimethoxyphosphoryl-1-hydroxyethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 134472737
1-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one;hydrochloride
CID 71783035
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]propanenitrile
CID 126750079
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
3-(dimethylamino)-1-[4-(1-hydroxypropyl)piperidin-1-yl]propan-1-one
CID 112537564
2-cyclohexyl-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537559
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropan-1-one
CID 168727093
2-(4-bromophenyl)-1-[4-(1-hydroxypropyl)piperidin-1-yl]ethanone
CID 112537586
1-[4-[methoxy(phenyl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 110357769
2,2-dimethyl-1-[4-(pentan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747722
2-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pent-4-enenitrile
CID 126750146

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 112537597) is 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CCC(O)C1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is KBZYZFKYBHCZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-5-11(15)10-6-8-14(9-7-10)12(16)13(2,3)4/h10-11,15H,5-9H2,1-4H3.
What are the key properties of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 227.35 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxypropyl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 112537597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).