4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol

C15H30N2O — CID 79135740

IUPAC4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H30N2O/c1-3-17-10-8-15(18,9-11-17)14(12-16)6-4-13(2)5-7-14/h13,18H,3-12,16H2,1-2H3
InChIKeyLVGBZHWZWPHEQK-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.99
Rot. Bonds3

About 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol

4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol (PubChem CID 79135740) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol.

Molecular Properties

Compound Name4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
PubChem CID79135740
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol
SMILESCCN1CCC(O)(C2(CN)CCC(C)CC2)CC1
InChIInChI=1S/C15H30N2O/c1-3-17-10-8-15(18,9-11-17)14(12-16)6-4-13(2)5-7-14/h13,18H,3-12,16H2,1-2H3
InChIKeyLVGBZHWZWPHEQK-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(aminomethyl)-4-methylcyclohexyl]-1-propylazepan-4-ol
CID 79125588
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylpiperidin-4-ol
CID 79135208
4-[1-(aminomethyl)-4-ethylcyclohexyl]-1-ethylazepan-4-ol
CID 79123962
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-propylazepan-4-ol
CID 79124838
4-[1-(aminomethyl)-3-methylcyclopentyl]-1-methylpiperidin-4-ol
CID 79135647
4-[1-(aminomethyl)cycloheptyl]-1-ethylazepan-4-ol
CID 79125587
1-[1-(aminomethyl)-4-propylcyclohexyl]-4-methylcyclohexan-1-ol
CID 79128311
4-[3-(aminomethyl)oxan-3-yl]-1-ethylpiperidin-4-ol
CID 103715931
1-[1-(aminomethyl)-3-methylcyclopentyl]cycloheptan-1-ol
CID 79128862
4-[1-(aminomethyl)cycloheptyl]-1-propylpiperidin-4-ol
CID 79135291
1-[1-(aminomethyl)-3-ethylcyclopentyl]-4-methylcycloheptan-1-ol
CID 79124842
4-[2-(aminomethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-1-ethylpiperidin-4-ol
CID 79136018

Frequently Asked Questions

What is the IUPAC name of 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol?
The IUPAC name of 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol (CID 79135740) is 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol.
What is the SMILES notation for 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol?
The canonical SMILES for 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol is CCN1CCC(O)(C2(CN)CCC(C)CC2)CC1.
What is the InChIKey of 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol?
The InChIKey is LVGBZHWZWPHEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-17-10-8-15(18,9-11-17)14(12-16)6-4-13(2)5-7-14/h13,18H,3-12,16H2,1-2H3.
What are the key properties of 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol?
4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol has a molecular weight of 254.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(aminomethyl)-4-methylcyclohexyl]-1-ethylpiperidin-4-ol is sourced from PubChem (CID 79135740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).