[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine

C14H29N3O — CID 106872129

IUPAC[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
SMILESCCN1CCN(C2(CN)CCCC(OC)C2)CC1
InChIInChI=1S/C14H29N3O/c1-3-16-7-9-17(10-8-16)14(12-15)6-4-5-13(11-14)18-2/h13H,3-12,15H2,1-2H3
InChIKeyMUOHUIQEVDBWDI-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.91
Rot. Bonds4

About [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine

[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine (PubChem CID 106872129) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
PubChem CID106872129
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine
SMILESCCN1CCN(C2(CN)CCCC(OC)C2)CC1
InChIInChI=1S/C14H29N3O/c1-3-16-7-9-17(10-8-16)14(12-15)6-4-5-13(11-14)18-2/h13H,3-12,15H2,1-2H3
InChIKeyMUOHUIQEVDBWDI-UHFFFAOYSA-N
XLogP0.91
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methoxy-1-thiomorpholin-4-ylcyclohexyl)methanamine
CID 106872149
[1-(4-ethylpiperazin-1-yl)-3-propan-2-ylcyclohexyl]methanamine
CID 107448927
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
[1-ethyl-4-(4-methoxypiperidin-1-yl)azepan-4-yl]methanamine
CID 65078802
[1-(4-ethylpiperazin-1-yl)-4-methylcycloheptyl]methanamine
CID 65085186
[1-(4-ethylpiperazin-1-yl)cycloheptyl]methanamine
CID 24705250
[1-(4-ethylpiperazin-1-yl)-3,4-dimethylcyclohexyl]methanamine
CID 64745247
[3-methoxy-1-(4-propan-2-ylpiperidin-1-yl)cyclobutyl]methanamine
CID 106822368
[1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872571
[1-(3-ethylmorpholin-4-yl)-3-methoxycyclohexyl]methanamine
CID 106872222
[3-methoxy-1-(4-methyl-2,3-dihydroquinoxalin-1-yl)cyclohexyl]methanamine
CID 106872532
[1-ethyl-4-(4-methylpiperidin-1-yl)azepan-4-yl]methanamine
CID 65078792

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine?
The IUPAC name of [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine (CID 106872129) is [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine.
What is the SMILES notation for [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine?
The canonical SMILES for [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine is CCN1CCN(C2(CN)CCCC(OC)C2)CC1.
What is the InChIKey of [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine?
The InChIKey is MUOHUIQEVDBWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-3-16-7-9-17(10-8-16)14(12-15)6-4-5-13(11-14)18-2/h13H,3-12,15H2,1-2H3.
What are the key properties of [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine?
[1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine has a molecular weight of 255.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethylpiperazin-1-yl)-3-methoxycyclohexyl]methanamine is sourced from PubChem (CID 106872129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).