2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol

C16H32N2O2 — CID 82690940

IUPAC2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
SMILESNCC1(CN2CCC(OCCO)CC2)CCCCCC1
InChIInChI=1S/C16H32N2O2/c17-13-16(7-3-1-2-4-8-16)14-18-9-5-15(6-10-18)20-12-11-19/h15,19H,1-14,17H2
InChIKeyJLXRAVBMJWGOKF-UHFFFAOYSA-N
MW284.44 g/mol
LogP1.76
Rot. Bonds6

About 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol

2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol (PubChem CID 82690940) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
PubChem CID82690940
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
SMILESNCC1(CN2CCC(OCCO)CC2)CCCCCC1
InChIInChI=1S/C16H32N2O2/c17-13-16(7-3-1-2-4-8-16)14-18-9-5-15(6-10-18)20-12-11-19/h15,19H,1-14,17H2
InChIKeyJLXRAVBMJWGOKF-UHFFFAOYSA-N
XLogP1.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[[1-(methylaminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol
CID 82685623
2-[1-(aminomethyl)cyclohexyl]-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 104678575
[1-[(4-ethoxypiperidin-1-yl)methyl]cyclobutyl]methanamine
CID 115448905
1-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]cycloheptane-1-carbaldehyde
CID 82691382
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
[1-(pyrrolidin-1-ylmethyl)cyclopentyl]methanamine
CID 62261664
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
[1-(azepan-1-ylmethyl)cyclobutyl]methanamine
CID 82171578
[1-(8-azaspiro[4.5]decan-8-ylmethyl)cyclohexyl]methanamine
CID 63159912
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]oxane-4-carbaldehyde
CID 82691530

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol (CID 82690940) is 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol is NCC1(CN2CCC(OCCO)CC2)CCCCCC1.
What is the InChIKey of 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
The InChIKey is JLXRAVBMJWGOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c17-13-16(7-3-1-2-4-8-16)14-18-9-5-15(6-10-18)20-12-11-19/h15,19H,1-14,17H2.
What are the key properties of 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol?
2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol has a molecular weight of 284.44 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(aminomethyl)cycloheptyl]methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82690940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).