2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one

C15H28N2O2 — CID 65050882

IUPAC2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(OC1(CN)CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(14(18)17-10-6-3-7-11-17)19-15(12-16)8-4-2-5-9-15/h13H,2-12,16H2,1H3
InChIKeyJXIVSJFTXPHIFA-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.07
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one

2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one (PubChem CID 65050882) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
PubChem CID65050882
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
SMILESCC(OC1(CN)CCCCC1)C(=O)N1CCCCC1
InChIInChI=1S/C15H28N2O2/c1-13(14(18)17-10-6-3-7-11-17)19-15(12-16)8-4-2-5-9-15/h13H,2-12,16H2,1H3
InChIKeyJXIVSJFTXPHIFA-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052436
2-[3-(aminomethyl)oxan-3-yl]oxy-1-piperidin-1-ylpropan-1-one
CID 65051935
2-[1-(aminomethyl)-3-methylcyclohexyl]oxy-1-(azepan-1-yl)propan-1-one
CID 65052541
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-1-piperidin-1-ylpropan-1-one
CID 65052797
2-[3-(aminomethyl)oxan-3-yl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65051407
2-[1-(aminomethyl)-4-propylcyclohexyl]oxy-1-pyrrolidin-1-ylpropan-1-one
CID 65052853
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
CID 65050602
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)cyclohexyl]oxy-N,N-diethylpropanamide
CID 65051264
2-[(1-aminocyclopentyl)methoxy]-1-(azepan-1-yl)propan-1-one
CID 64572244
3-[1-(aminomethyl)cyclooctyl]oxybutan-2-ol
CID 103376997
2-[1-(aminomethyl)cyclohexyl]oxy-1-(azepan-1-yl)ethanone
CID 65051205

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one (CID 65050882) is 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one is CC(OC1(CN)CCCCC1)C(=O)N1CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one?
The InChIKey is JXIVSJFTXPHIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13(14(18)17-10-6-3-7-11-17)19-15(12-16)8-4-2-5-9-15/h13H,2-12,16H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one?
2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one has a molecular weight of 268.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]oxy-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 65050882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).