1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane

C21H46N6 — CID 162742199

IUPAC1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESCCN1CCNCC1.CCNC.CN1CC2(C1)CN(CC1CCNCC1)C2
InChIInChI=1S/C12H23N3.C6H14N2.C3H9N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-2-8-5-3-7-4-6-8;1-3-4-2/h11,13H,2-10H2,1H3;7H,2-6H2,1H3;4H,3H2,1-2H3
InChIKeyNAQUAVKVHWGCGQ-UHFFFAOYSA-N
MW382.64 g/mol
LogP0.37
Rot. Bonds4

About 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane

1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane (PubChem CID 162742199) has the molecular formula C21H46N6 and a molecular weight of 382.64 g/mol. Its IUPAC name is 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
PubChem CID162742199
Molecular FormulaC21H46N6
Molecular Weight382.64 g/mol
Exact Mass382.38
IUPAC Name1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane
SMILESCCN1CCNCC1.CCNC.CN1CC2(C1)CN(CC1CCNCC1)C2
InChIInChI=1S/C12H23N3.C6H14N2.C3H9N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-2-8-5-3-7-4-6-8;1-3-4-2/h11,13H,2-10H2,1H3;7H,2-6H2,1H3;4H,3H2,1-2H3
InChIKeyNAQUAVKVHWGCGQ-UHFFFAOYSA-N
XLogP0.37
TPSA45.81 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.64
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane (CID 162742199) is 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane is CCN1CCNCC1.CCNC.CN1CC2(C1)CN(CC1CCNCC1)C2.
What is the InChIKey of 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
The InChIKey is NAQUAVKVHWGCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.C6H14N2.C3H9N/c1-14-7-12(8-14)9-15(10-12)6-11-2-4-13-5-3-11;1-2-8-5-3-7-4-6-8;1-3-4-2/h11,13H,2-10H2,1H3;7H,2-6H2,1H3;4H,3H2,1-2H3.
What are the key properties of 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane?
1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane has a molecular weight of 382.64 g/mol, XLogP of 0.37, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpiperazine;N-methylethanamine;6-methyl-2-(piperidin-4-ylmethyl)-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 162742199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).