N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium

C52H109N11OY-2 — CID 155702607

IUPACN,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
SMILESCC(C)N1CCC(CCN2CCNCC2)CC1.CNCCC(C)CN1CCNCC1.C[CH-]N1CCN(CCOC2CCN(C(C)C)CC2)CC1.[CH2-]CCCCN1CCN(C(C)C)CC1.[Y]
InChIInChI=1S/C16H32N3O.C14H29N3.C12H25N2.C10H23N3.Y/c1-4-17-9-11-18(12-10-17)13-14-20-16-5-7-19(8-6-16)15(2)3;1-13(2)17-9-4-14(5-10-17)3-8-16-11-6-15-7-12-16;1-4-5-6-7-13-8-10-14(11-9-13)12(2)3;1-10(3-4-11-2)9-13-7-5-12-6-8-13;/h4,15-16H,5-14H2,1-3H3;13-15H,3-12H2,1-2H3;12H,1,4-11H2,2-3H3;10-12H,3-9H2,1-2H3;/q-1;;-1;;
InChIKeyUMFJUAOOTGRJOS-UHFFFAOYSA-N
MW993.43 g/mol
LogP5.23
Rot. Bonds20

About N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium

N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium (PubChem CID 155702607) has the molecular formula C52H109N11OY-2 and a molecular weight of 993.43 g/mol. Its IUPAC name is N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium.

Molecular Properties

Compound NameN,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
PubChem CID155702607
Molecular FormulaC52H109N11OY-2
Molecular Weight993.43 g/mol
Exact Mass992.79
IUPAC NameN,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium
SMILESCC(C)N1CCC(CCN2CCNCC2)CC1.CNCCC(C)CN1CCNCC1.C[CH-]N1CCN(CCOC2CCN(C(C)C)CC2)CC1.[CH2-]CCCCN1CCN(C(C)C)CC1.[Y]
InChIInChI=1S/C16H32N3O.C14H29N3.C12H25N2.C10H23N3.Y/c1-4-17-9-11-18(12-10-17)13-14-20-16-5-7-19(8-6-16)15(2)3;1-13(2)17-9-4-14(5-10-17)3-8-16-11-6-15-7-12-16;1-4-5-6-7-13-8-10-14(11-9-13)12(2)3;1-10(3-4-11-2)9-13-7-5-12-6-8-13;/h4,15-16H,5-14H2,1-3H3;13-15H,3-12H2,1-2H3;12H,1,4-11H2,2-3H3;10-12H,3-9H2,1-2H3;/q-1;;-1;;
InChIKeyUMFJUAOOTGRJOS-UHFFFAOYSA-N
XLogP5.23
TPSA71.24 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds20
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500993.43
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium?
The IUPAC name of N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium (CID 155702607) is N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium.
What is the SMILES notation for N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium?
The canonical SMILES for N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium is CC(C)N1CCC(CCN2CCNCC2)CC1.CNCCC(C)CN1CCNCC1.C[CH-]N1CCN(CCOC2CCN(C(C)C)CC2)CC1.[CH2-]CCCCN1CCN(C(C)C)CC1.[Y].
What is the InChIKey of N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium?
The InChIKey is UMFJUAOOTGRJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N3O.C14H29N3.C12H25N2.C10H23N3.Y/c1-4-17-9-11-18(12-10-17)13-14-20-16-5-7-19(8-6-16)15(2)3;1-13(2)17-9-4-14(5-10-17)3-8-16-11-6-15-7-12-16;1-4-5-6-7-13-8-10-14(11-9-13)12(2)3;1-10(3-4-11-2)9-13-7-5-12-6-8-13;/h4,15-16H,5-14H2,1-3H3;13-15H,3-12H2,1-2H3;12H,1,4-11H2,2-3H3;10-12H,3-9H2,1-2H3;/q-1;;-1;;.
What are the key properties of N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium?
N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium has a molecular weight of 993.43 g/mol, XLogP of 5.23, 20 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-piperazin-1-ylbutan-1-amine;1-ethyl-4-[2-(1-propan-2-ylpiperidin-4-yl)oxyethyl]piperazine;1-pentyl-4-propan-2-ylpiperazine;1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine;yttrium is sourced from PubChem (CID 155702607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).