1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine

C32H62N6 — CID 67680689

IUPAC1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(C(C2CCN(C)CC2)C(C2CCN(C)CC2)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C32H62N6/c1-33-16-6-26(7-17-33)31(27-8-18-34(2)19-9-27)32(28-10-20-35(3)21-11-28)38(29-12-22-36(4)23-13-29)30-14-24-37(5)25-15-30/h26-32H,6-25H2,1-5H3
InChIKeyOABSOEPUGGKKJO-UHFFFAOYSA-N
MW530.89 g/mol
LogP3.49
Rot. Bonds7

About 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine

1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine (PubChem CID 67680689) has the molecular formula C32H62N6 and a molecular weight of 530.89 g/mol. Its IUPAC name is 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
PubChem CID67680689
Molecular FormulaC32H62N6
Molecular Weight530.89 g/mol
Exact Mass530.50
IUPAC Name1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
SMILESCN1CCC(C(C2CCN(C)CC2)C(C2CCN(C)CC2)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1
InChIInChI=1S/C32H62N6/c1-33-16-6-26(7-17-33)31(27-8-18-34(2)19-9-27)32(28-10-20-35(3)21-11-28)38(29-12-22-36(4)23-13-29)30-14-24-37(5)25-15-30/h26-32H,6-25H2,1-5H3
InChIKeyOABSOEPUGGKKJO-UHFFFAOYSA-N
XLogP3.49
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.89
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine (CID 67680689) is 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine is CN1CCC(C(C2CCN(C)CC2)C(C2CCN(C)CC2)N(C2CCN(C)CC2)C2CCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine?
The InChIKey is OABSOEPUGGKKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H62N6/c1-33-16-6-26(7-17-33)31(27-8-18-34(2)19-9-27)32(28-10-20-35(3)21-11-28)38(29-12-22-36(4)23-13-29)30-14-24-37(5)25-15-30/h26-32H,6-25H2,1-5H3.
What are the key properties of 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine?
1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine has a molecular weight of 530.89 g/mol, XLogP of 3.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 67680689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).