1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone

C21H38N2O3 — CID 176683672

IUPAC1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone
SMILESCOC1CCN(CC2CCN(C(O)C3CCC(C(C)=O)CC3)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-16(24)18-3-5-19(6-4-18)21(25)23-13-7-17(8-14-23)15-22-11-9-20(26-2)10-12-22/h17-21,25H,3-15H2,1-2H3
InChIKeyZVWCXDJPXZCOKY-UHFFFAOYSA-N
MW366.55 g/mol
LogP2.52
Rot. Bonds6

About 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone

1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone (PubChem CID 176683672) has the molecular formula C21H38N2O3 and a molecular weight of 366.55 g/mol. Its IUPAC name is 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone
PubChem CID176683672
Molecular FormulaC21H38N2O3
Molecular Weight366.55 g/mol
Exact Mass366.29
IUPAC Name1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone
SMILESCOC1CCN(CC2CCN(C(O)C3CCC(C(C)=O)CC3)CC2)CC1
InChIInChI=1S/C21H38N2O3/c1-16(24)18-3-5-19(6-4-18)21(25)23-13-7-17(8-14-23)15-22-11-9-20(26-2)10-12-22/h17-21,25H,3-15H2,1-2H3
InChIKeyZVWCXDJPXZCOKY-UHFFFAOYSA-N
XLogP2.52
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[4-[(4-methoxypiperidin-1-yl)methyl]piperidine-1-carbonyl]cyclohexyl]ethanone
CID 176683725
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
4-ethoxy-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171070473
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
1-cyclopentyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanol
CID 104752834
4-(4-methoxypiperidin-1-yl)pentan-2-one
CID 64699120
1-(3-methoxycyclopentyl)ethanone
CID 140959253
1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]cyclohexane;bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperazine);bis(1-propan-2-yl-4-[(4-propan-2-ylcyclohexyl)methyl]piperidine);bis(4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperidine);1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;bis(1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine)
CID 167571106
4-methoxy-1-[(4-methylidenecycloheptyl)methyl]piperidine
CID 166981313
ethane;1-(4-propan-2-ylcyclohexyl)ethanone
CID 144871245
methyl 2-[3-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]-1,2-oxazol-5-yl]-3-methylbutanoate
CID 156720083

Frequently Asked Questions

What is the IUPAC name of 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone?
The IUPAC name of 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone (CID 176683672) is 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone.
What is the SMILES notation for 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone?
The canonical SMILES for 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone is COC1CCN(CC2CCN(C(O)C3CCC(C(C)=O)CC3)CC2)CC1.
What is the InChIKey of 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone?
The InChIKey is ZVWCXDJPXZCOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N2O3/c1-16(24)18-3-5-19(6-4-18)21(25)23-13-7-17(8-14-23)15-22-11-9-20(26-2)10-12-22/h17-21,25H,3-15H2,1-2H3.
What are the key properties of 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone?
1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone has a molecular weight of 366.55 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[hydroxy-[4-[(4-methoxypiperidin-1-yl)methyl]piperidin-1-yl]methyl]cyclohexyl]ethanone is sourced from PubChem (CID 176683672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).