1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one

C14H27NO3 — CID 71856930

IUPAC1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
SMILESCC(C)CC(C)OCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C14H27NO3/c1-11(2)10-12(3)18-9-6-14(17)15-7-4-13(16)5-8-15/h11-13,16H,4-10H2,1-3H3
InChIKeyVZHWCHJIFLXPDE-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.81
Rot. Bonds6

About 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one

1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one (PubChem CID 71856930) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
PubChem CID71856930
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one
SMILESCC(C)CC(C)OCCC(=O)N1CCC(O)CC1
InChIInChI=1S/C14H27NO3/c1-11(2)10-12(3)18-9-6-14(17)15-7-4-13(16)5-8-15/h11-13,16H,4-10H2,1-3H3
InChIKeyVZHWCHJIFLXPDE-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119520484
1-[4-(methylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119546517
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119647919
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 120659422
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(4-methylpentan-2-yloxy)propan-1-one;hydrochloride
CID 119634234
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
6-methyl-1-[3-(4-methylpentan-2-yloxy)propanoyl]piperidine-3-carboxylic acid
CID 122113402
2-amino-1-(4-hydroxypiperidin-1-yl)-4-methylpentan-1-one;hydrochloride
CID 47003200
3-ethoxy-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66291781
ethane;1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 145216334
1-(4-hydroxypiperidin-1-yl)-4-[4-(2-methylpropyl)phenyl]butan-1-one
CID 109378494
1-[4-(2-methylpropyl)piperidin-1-yl]-5-propan-2-yloxypentan-1-one
CID 165108720

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one?
The IUPAC name of 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one (CID 71856930) is 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one.
What is the SMILES notation for 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one?
The canonical SMILES for 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one is CC(C)CC(C)OCCC(=O)N1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one?
The InChIKey is VZHWCHJIFLXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)10-12(3)18-9-6-14(17)15-7-4-13(16)5-8-15/h11-13,16H,4-10H2,1-3H3.
What are the key properties of 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one?
1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one has a molecular weight of 257.37 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxypiperidin-1-yl)-3-(4-methylpentan-2-yloxy)propan-1-one is sourced from PubChem (CID 71856930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).