1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

C17H32N2O2 — CID 155721126

IUPAC1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-13-11-15(20)7-10-19(13)12-14-5-8-18(9-6-14)16(21)17(2,3)4/h13-15,20H,5-12H2,1-4H3
InChIKeyMKYFCVIOIILIQK-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.12
Rot. Bonds2

About 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 155721126) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID155721126
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC1CC(O)CCN1CC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C17H32N2O2/c1-13-11-15(20)7-10-19(13)12-14-5-8-18(9-6-14)16(21)17(2,3)4/h13-15,20H,5-12H2,1-4H3
InChIKeyMKYFCVIOIILIQK-UHFFFAOYSA-N
XLogP2.12
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one with MolForge

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Related Compounds

1-[4-[2-(3-Fluoro-4-hydroxypiperidin-1-yl)ethyl]piperidin-1-yl]-2-methylpropan-1-one
CID 171550650
Tert-butyl 4-[2-(4-hydroxy-2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
CID 11501010
(4-Hydroxypiperidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 84458625
1-(4-Hydroxy-2-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 127011430
1-[4-Amino-3-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 138656785
N-[6-(3,5-dihydroxypiperidin-1-yl)hexyl]-2,2-dimethyl-N-(3-methylbutan-2-yl)propanamide;methanol
CID 145648514
2,2-dimethyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 155286577
2-methyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]propan-1-one
CID 155286616
3-methyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]butan-1-one
CID 155286674
3,3-dimethyl-1-[4-[[(2R,3R,4R,5S)-3,4,5-trihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]butan-1-one
CID 155302735
1-[4-[[(2R,3R,4R)-3,4-dihydroxy-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-2-methylpropan-1-one
CID 155302773
1-[4-[(4-Hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 155721017

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 155721126) is 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is CC1CC(O)CCN1CC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is MKYFCVIOIILIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13-11-15(20)7-10-19(13)12-14-5-8-18(9-6-14)16(21)17(2,3)4/h13-15,20H,5-12H2,1-4H3.
What are the key properties of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 296.45 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 155721126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).