3-(aminomethyl)-1-ethylpiperidin-3-ol

C8H18N2O — CID 83914177

IUPAC3-(aminomethyl)-1-ethylpiperidin-3-ol
SMILESCCN1CCCC(O)(CN)C1
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-4-8(11,6-9)7-10/h11H,2-7,9H2,1H3
InChIKeyZHYITVXKOVZYAV-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.21
Rot. Bonds2

About 3-(aminomethyl)-1-ethylpiperidin-3-ol

3-(aminomethyl)-1-ethylpiperidin-3-ol (PubChem CID 83914177) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is 3-(aminomethyl)-1-ethylpiperidin-3-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1-ethylpiperidin-3-ol
PubChem CID83914177
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name3-(aminomethyl)-1-ethylpiperidin-3-ol
SMILESCCN1CCCC(O)(CN)C1
InChIInChI=1S/C8H18N2O/c1-2-10-5-3-4-8(11,6-9)7-10/h11H,2-7,9H2,1H3
InChIKeyZHYITVXKOVZYAV-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-(aminomethyl)-1-methylpiperidin-3-ol
CID 94998579
ethane;1-ethyl-3-(methoxymethyl)piperidin-3-ol
CID 172575983
3-(aminomethyl)-1-tert-butylpiperidin-3-ol
CID 115017167
1,3-diethylpyrrolidin-3-ol
CID 67586028
(3R)-1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol
CID 94087236
1-ethyl-3-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]piperidin-3-ol
CID 56730046
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
3-(hydroxymethyl)-1-propylpiperidin-3-ol
CID 130689857
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
2-(3-amino-1-ethylpiperidin-3-yl)ethanol
CID 83914583
4-(ethoxymethyl)-1-ethylazepan-4-ol
CID 79568100

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-ethylpiperidin-3-ol?
The IUPAC name of 3-(aminomethyl)-1-ethylpiperidin-3-ol (CID 83914177) is 3-(aminomethyl)-1-ethylpiperidin-3-ol.
What is the SMILES notation for 3-(aminomethyl)-1-ethylpiperidin-3-ol?
The canonical SMILES for 3-(aminomethyl)-1-ethylpiperidin-3-ol is CCN1CCCC(O)(CN)C1.
What is the InChIKey of 3-(aminomethyl)-1-ethylpiperidin-3-ol?
The InChIKey is ZHYITVXKOVZYAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-2-10-5-3-4-8(11,6-9)7-10/h11H,2-7,9H2,1H3.
What are the key properties of 3-(aminomethyl)-1-ethylpiperidin-3-ol?
3-(aminomethyl)-1-ethylpiperidin-3-ol has a molecular weight of 158.24 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-ethylpiperidin-3-ol is sourced from PubChem (CID 83914177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).