1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one

C18H34N2O2 — CID 155721017

IUPAC1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC1CC(O)CCN1CC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-14-11-16(21)7-10-20(14)13-15-5-8-19(9-6-15)17(22)12-18(2,3)4/h14-16,21H,5-13H2,1-4H3
InChIKeyWRMXQUZFLRSLAB-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.51
Rot. Bonds3

About 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one

1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one (PubChem CID 155721017) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
PubChem CID155721017
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Name1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
SMILESCC1CC(O)CCN1CC1CCN(C(=O)CC(C)(C)C)CC1
InChIInChI=1S/C18H34N2O2/c1-14-11-16(21)7-10-20(14)13-15-5-8-19(9-6-15)17(22)12-18(2,3)4/h14-16,21H,5-13H2,1-4H3
InChIKeyWRMXQUZFLRSLAB-UHFFFAOYSA-N
XLogP2.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6R)-11-hydroxy-8-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-2-yl]-4-methylpentan-1-one
CID 168452794
1-[(6R)-11-hydroxy-8-(oxan-4-yl)-2,8-diazaspiro[5.5]undecan-2-yl]-3-methylbutan-1-one
CID 168452912
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
3-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]-1-(4-hydroxypiperidin-1-yl)-2,2-dimethylpropan-1-one
CID 134274418
1-[4-Amino-3-[2-(4-hydroxypiperidin-1-yl)propyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 138656785
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
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
2-Cyclopentyl-1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 155721028
Cyclopropyl-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 155721055

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The IUPAC name of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one (CID 155721017) is 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one is CC1CC(O)CCN1CC1CCN(C(=O)CC(C)(C)C)CC1.
What is the InChIKey of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
The InChIKey is WRMXQUZFLRSLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14-11-16(21)7-10-20(14)13-15-5-8-19(9-6-15)17(22)12-18(2,3)4/h14-16,21H,5-13H2,1-4H3.
What are the key properties of 1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one?
1-[4-[(4-hydroxy-2-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one has a molecular weight of 310.48 g/mol, XLogP of 2.51, 3 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]-3,3-dimethylbutan-1-one is sourced from PubChem (CID 155721017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).