2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol

C16H33N3O — CID 62614980

IUPAC2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
SMILESCCNC1CCCCCC1CN1CCN(CCO)CC1
InChIInChI=1S/C16H33N3O/c1-2-17-16-7-5-3-4-6-15(16)14-19-10-8-18(9-11-19)12-13-20/h15-17,20H,2-14H2,1H3
InChIKeyHNXLBEVOZVVKEB-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.15
Rot. Bonds6

About 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol

2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol (PubChem CID 62614980) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
PubChem CID62614980
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol
SMILESCCNC1CCCCCC1CN1CCN(CCO)CC1
InChIInChI=1S/C16H33N3O/c1-2-17-16-7-5-3-4-6-15(16)14-19-10-8-18(9-11-19)12-13-20/h15-17,20H,2-14H2,1H3
InChIKeyHNXLBEVOZVVKEB-UHFFFAOYSA-N
XLogP1.15
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[2-(ethylamino)cyclopentyl]methyl]piperazin-1-yl]ethanol
CID 62616915
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62610035
2-[(4,4-dimethylpiperidin-1-yl)methyl]-N-ethylcycloheptan-1-amine
CID 62931664
2-[4-[[5-ethyl-2-(ethylamino)cyclohexyl]methyl]piperazin-1-yl]ethanol
CID 62614447
N-ethyl-2-[(4-methylazepan-1-yl)methyl]cycloheptan-1-amine
CID 63623409
1-[[2-(ethylamino)cycloheptyl]methyl]pyrrolidin-3-ol
CID 62941371
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 62773696
2-[(4,4-diethylpiperidin-1-yl)methyl]-N-ethylcyclohexan-1-amine
CID 63495462
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethylcycloheptan-1-amine
CID 63495679
N-propyl-2-[(4-propylpiperazin-1-yl)methyl]cyclopentan-1-amine
CID 55094030
N,2-diethylcycloheptan-1-amine;propan-1-ol
CID 71071624
[1-[[2-(ethylamino)cyclohexyl]methyl]azepan-2-yl]methanol
CID 116638196

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol (CID 62614980) is 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol is CCNC1CCCCCC1CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol?
The InChIKey is HNXLBEVOZVVKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-2-17-16-7-5-3-4-6-15(16)14-19-10-8-18(9-11-19)12-13-20/h15-17,20H,2-14H2,1H3.
What are the key properties of 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol?
2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol has a molecular weight of 283.46 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(ethylamino)cycloheptyl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 62614980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).