1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine

C19H37N3O — CID 171641415

IUPAC1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
SMILESCCN1CCN(CC2CCC(OC3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H37N3O/c1-3-21-12-14-22(15-13-21)16-17-4-6-18(7-5-17)23-19-8-10-20(2)11-9-19/h17-19H,3-16H2,1-2H3
InChIKeyWRXRHTIIHHYXHK-UHFFFAOYSA-N
MW323.53 g/mol
LogP2.29
Rot. Bonds5

About 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine

1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine (PubChem CID 171641415) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
PubChem CID171641415
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine
SMILESCCN1CCN(CC2CCC(OC3CCN(C)CC3)CC2)CC1
InChIInChI=1S/C19H37N3O/c1-3-21-12-14-22(15-13-21)16-17-4-6-18(7-5-17)23-19-8-10-20(2)11-9-19/h17-19H,3-16H2,1-2H3
InChIKeyWRXRHTIIHHYXHK-UHFFFAOYSA-N
XLogP2.29
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine (CID 171641415) is 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine is CCN1CCN(CC2CCC(OC3CCN(C)CC3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
The InChIKey is WRXRHTIIHHYXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-3-21-12-14-22(15-13-21)16-17-4-6-18(7-5-17)23-19-8-10-20(2)11-9-19/h17-19H,3-16H2,1-2H3.
What are the key properties of 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine?
1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine has a molecular weight of 323.53 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-(1-methylpiperidin-4-yl)oxycyclohexyl]methyl]piperazine is sourced from PubChem (CID 171641415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).