1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine

C88H176N16O6 — CID 157363218

IUPAC1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCC(N2CCN(C3COC3)CC2)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(C2CCOC2)CC1.CC(C)N1CCN(C2CCOCC2)CC1.CC(C)N1CCN(C2COC2)CC1.COC1CCC(N2CCN(C(C)C)CC2)C1.COC1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C14H28N2O.C13H27N3.C13H26N2O.C12H24N2O.C11H22N2O.C10H20N2O/c1-13(2)16-5-3-14(4-6-16)17-7-9-18(10-8-17)15-11-19-12-15;1-12(2)15-8-4-13(5-9-15)16-10-6-14(17-3)7-11-16;1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-11(2)14-6-8-15(9-7-14)12-4-5-13(10-12)16-3;1-11(2)13-5-7-14(8-6-13)12-3-9-15-10-4-12;1-10(2)12-4-6-13(7-5-12)11-3-8-14-9-11;1-9(2)11-3-5-12(6-4-11)10-7-13-8-10/h13-15H,3-12H2,1-2H3;12-14H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyBIWMVRAUVXKORY-UHFFFAOYSA-N
MW1554.48 g/mol
LogP7.94
Rot. Bonds17

About 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine

1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine (PubChem CID 157363218) has the molecular formula C88H176N16O6 and a molecular weight of 1554.48 g/mol. Its IUPAC name is 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine
PubChem CID157363218
Molecular FormulaC88H176N16O6
Molecular Weight1554.48 g/mol
Exact Mass1553.40
IUPAC Name1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine
SMILESCC(C)N1CCC(N2CCN(C3COC3)CC2)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(C2CCOC2)CC1.CC(C)N1CCN(C2CCOCC2)CC1.CC(C)N1CCN(C2COC2)CC1.COC1CCC(N2CCN(C(C)C)CC2)C1.COC1CCN(C2CCN(C(C)C)CC2)CC1
InChIInChI=1S/C15H29N3O.C14H28N2O.C13H27N3.C13H26N2O.C12H24N2O.C11H22N2O.C10H20N2O/c1-13(2)16-5-3-14(4-6-16)17-7-9-18(10-8-17)15-11-19-12-15;1-12(2)15-8-4-13(5-9-15)16-10-6-14(17-3)7-11-16;1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-11(2)14-6-8-15(9-7-14)12-4-5-13(10-12)16-3;1-11(2)13-5-7-14(8-6-13)12-3-9-15-10-4-12;1-10(2)12-4-6-13(7-5-12)11-3-8-14-9-11;1-9(2)11-3-5-12(6-4-11)10-7-13-8-10/h13-15H,3-12H2,1-2H3;12-14H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3
InChIKeyBIWMVRAUVXKORY-UHFFFAOYSA-N
XLogP7.94
TPSA107.22 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001554.48
LogP ≤ 57.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine (CID 157363218) is 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine is CC(C)N1CCC(N2CCN(C3COC3)CC2)CC1.CC(C)N1CCN(C2CCN(C)CC2)CC1.CC(C)N1CCN(C2CCOC2)CC1.CC(C)N1CCN(C2CCOCC2)CC1.CC(C)N1CCN(C2COC2)CC1.COC1CCC(N2CCN(C(C)C)CC2)C1.COC1CCN(C2CCN(C(C)C)CC2)CC1.
What is the InChIKey of 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine?
The InChIKey is BIWMVRAUVXKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.C14H28N2O.C13H27N3.C13H26N2O.C12H24N2O.C11H22N2O.C10H20N2O/c1-13(2)16-5-3-14(4-6-16)17-7-9-18(10-8-17)15-11-19-12-15;1-12(2)15-8-4-13(5-9-15)16-10-6-14(17-3)7-11-16;1-12(2)15-8-10-16(11-9-15)13-4-6-14(3)7-5-13;1-11(2)14-6-8-15(9-7-14)12-4-5-13(10-12)16-3;1-11(2)13-5-7-14(8-6-13)12-3-9-15-10-4-12;1-10(2)12-4-6-13(7-5-12)11-3-8-14-9-11;1-9(2)11-3-5-12(6-4-11)10-7-13-8-10/h13-15H,3-12H2,1-2H3;12-14H,4-11H2,1-3H3;12-13H,4-11H2,1-3H3;11-13H,4-10H2,1-3H3;11-12H,3-10H2,1-2H3;10-11H,3-9H2,1-2H3;9-10H,3-8H2,1-2H3.
What are the key properties of 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine?
1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine has a molecular weight of 1554.48 g/mol, XLogP of 7.94, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclopentyl)-4-propan-2-ylpiperazine;4-methoxy-1-(1-propan-2-ylpiperidin-4-yl)piperidine;1-(1-methylpiperidin-4-yl)-4-propan-2-ylpiperazine;1-(oxan-4-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;1-(oxetan-3-yl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine;1-(oxolan-3-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 157363218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).