[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol

C17H35N3O — CID 79635686

IUPAC[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N(C)C2CCN(CC)CC2)C1
InChIInChI=1S/C17H35N3O/c1-4-18-17(14-21)10-6-7-16(13-17)19(3)15-8-11-20(5-2)12-9-15/h15-16,18,21H,4-14H2,1-3H3
InChIKeyYNKDEOFOODFRIY-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.69
Rot. Bonds6

About [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol

[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol (PubChem CID 79635686) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol
PubChem CID79635686
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(N(C)C2CCN(CC)CC2)C1
InChIInChI=1S/C17H35N3O/c1-4-18-17(14-21)10-6-7-16(13-17)19(3)15-8-11-20(5-2)12-9-15/h15-16,18,21H,4-14H2,1-3H3
InChIKeyYNKDEOFOODFRIY-UHFFFAOYSA-N
XLogP1.69
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol with MolForge

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Related Compounds

[1-(ethylamino)-3-[methyl(oxan-4-yl)amino]cyclohexyl]methanol
CID 79641104
[3-[cycloheptyl(methyl)amino]-1-(ethylamino)cyclopentyl]methanol
CID 79655884
[1-(ethylamino)-3-[methyl-(1-methylpiperidin-4-yl)amino]cyclopentyl]methanol
CID 79656682
[3-[cyclohexyl(methyl)amino]-1-(propylamino)cyclohexyl]methanol
CID 79635204
3-[(1-ethylpiperidin-4-yl)-methylamino]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 79627505
[1-(ethylamino)-3-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]cyclohexyl]methanol
CID 79640639
[1-(ethylamino)-3-[methyl(pentan-3-yl)amino]cyclohexyl]methanol
CID 79641023
N-cyclobutyl-1-ethyl-N-methylpiperidin-4-amine;hydrofluoride
CID 178156932
N-cyclopentyl-1-ethyl-N-methylpiperidin-4-amine
CID 178157207
[3-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1-(ethylamino)cyclohexyl]methanol
CID 105418636
[1-(ethylamino)-3-[methyl(pentan-2-yl)amino]cyclohexyl]methanol
CID 79640702
[1-(ethylamino)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]cyclopentyl]methanol
CID 79656265

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol (CID 79635686) is [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol is CCNC1(CO)CCCC(N(C)C2CCN(CC)CC2)C1.
What is the InChIKey of [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol?
The InChIKey is YNKDEOFOODFRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-18-17(14-21)10-6-7-16(13-17)19(3)15-8-11-20(5-2)12-9-15/h15-16,18,21H,4-14H2,1-3H3.
What are the key properties of [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol?
[1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol has a molecular weight of 297.49 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-[(1-ethylpiperidin-4-yl)-methylamino]cyclohexyl]methanol is sourced from PubChem (CID 79635686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).