1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine

C66H136N12O4 — CID 157338304

IUPAC1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(C)N1CCC(CN2CCOCC2)CC1.CC(C)N1CCC(N(C)C2COC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CCOCC2)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O.3C12H24N2O.C9H20N2.C8H18N2/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;1-11(2)13-5-7-14(8-6-13)12-3-9-15-10-4-12;1-10(2)14-6-4-11(5-7-14)13(3)12-8-15-9-12;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-12H,4-9H2,1-3H3;11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyBGCFFGSKXXIXDY-UHFFFAOYSA-N
MW1161.89 g/mol
LogP6.69
Rot. Bonds13

About 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine

1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine (PubChem CID 157338304) has the molecular formula C66H136N12O4 and a molecular weight of 1161.89 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
PubChem CID157338304
Molecular FormulaC66H136N12O4
Molecular Weight1161.89 g/mol
Exact Mass1161.08
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine
SMILESCC(C)N1CCC(CN2CCOCC2)CC1.CC(C)N1CCC(N(C)C2COC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CCOCC2)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C13H26N2O.3C12H24N2O.C9H20N2.C8H18N2/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;1-11(2)13-5-7-14(8-6-13)12-3-9-15-10-4-12;1-10(2)14-6-4-11(5-7-14)13(3)12-8-15-9-12;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-12H,4-9H2,1-3H3;11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3
InChIKeyBGCFFGSKXXIXDY-UHFFFAOYSA-N
XLogP6.69
TPSA75.80 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds13
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001161.89
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine (CID 157338304) is 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine is CC(C)N1CCC(CN2CCOCC2)CC1.CC(C)N1CCC(N(C)C2COC2)CC1.CC(C)N1CCC(N2CCOCC2)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCN(C2CCOCC2)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
The InChIKey is BGCFFGSKXXIXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.3C12H24N2O.C9H20N2.C8H18N2/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14;1-11(2)13-5-7-14(8-6-13)12-3-9-15-10-4-12;1-10(2)14-6-4-11(5-7-14)13(3)12-8-15-9-12;1-11(2)13-5-3-12(4-6-13)14-7-9-15-10-8-14;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10/h12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;10-12H,4-9H2,1-3H3;11-12H,3-10H2,1-2H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine?
1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine has a molecular weight of 1161.89 g/mol, XLogP of 6.69, 13 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;N-methyl-N-(oxetan-3-yl)-1-propan-2-ylpiperidin-4-amine;1-methyl-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;4-[(1-propan-2-ylpiperidin-4-yl)methyl]morpholine;4-(1-propan-2-ylpiperidin-4-yl)morpholine is sourced from PubChem (CID 157338304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).