2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol

C16H33N3O — CID 62262765

IUPAC2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol
SMILESCCNCC1(CN2CCN(CCO)CC2)CCCCC1
InChIInChI=1S/C16H33N3O/c1-2-17-14-16(6-4-3-5-7-16)15-19-10-8-18(9-11-19)12-13-20/h17,20H,2-15H2,1H3
InChIKeyYMWNVUXDUAUWHX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.16
Rot. Bonds7

About 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol

2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol (PubChem CID 62262765) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol
PubChem CID62262765
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol
SMILESCCNCC1(CN2CCN(CCO)CC2)CCCCC1
InChIInChI=1S/C16H33N3O/c1-2-17-14-16(6-4-3-5-7-16)15-19-10-8-18(9-11-19)12-13-20/h17,20H,2-15H2,1H3
InChIKeyYMWNVUXDUAUWHX-UHFFFAOYSA-N
XLogP1.16
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

N-[[1-[(4-ethylpiperazin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 62263344
2-[4-[[1-(hydroxymethyl)cycloheptyl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226563
N-[[1-[(4-methoxypiperidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051871
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]ethanamine
CID 79184587
N-[[1-[(3,4,5-trimethylpiperazin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 114539697
N-[[1-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 107459430
N-[[1-[(3,4-dimethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]ethanamine
CID 79184034
N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclohexyl]methyl]ethanamine
CID 113418861
1-[1-[[1-(ethylaminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]ethanol
CID 115967293
N-[[1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)cyclopentyl]methyl]ethanamine
CID 113336169
N-[[1-[(2-methylmorpholin-4-yl)methyl]cyclohexyl]methyl]ethanamine
CID 55051513
2-[4-[[3-(methylaminomethyl)oxan-3-yl]methyl]-1,4-diazepan-1-yl]ethanol
CID 107226535

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol (CID 62262765) is 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol is CCNCC1(CN2CCN(CCO)CC2)CCCCC1.
What is the InChIKey of 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is YMWNVUXDUAUWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-2-17-14-16(6-4-3-5-7-16)15-19-10-8-18(9-11-19)12-13-20/h17,20H,2-15H2,1H3.
What are the key properties of 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 283.46 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[1-(ethylaminomethyl)cyclohexyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 62262765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).