3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine

C41H82N10 — CID 91072495

IUPAC3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine
SMILESCCNC1CCN(C2(N3CCC(N(C)C)CC3)NCCC(NC)(C3CCCN(C)C3)C2(C2CCCCN2C)N2CCC(N(CC)CC)CC2)CC1
InChIInChI=1S/C41H82N10/c1-9-43-35-17-27-50(28-18-35)41(51-31-19-36(20-32-51)45(5)6)40(38-16-12-13-26-47(38)8,49-29-21-37(22-30-49)48(10-2)11-3)39(42-4,23-24-44-41)34-15-14-25-46(7)33-34/h34-38,42-44H,9-33H2,1-8H3
InChIKeyCQGFQVQUWSCYIS-UHFFFAOYSA-N
MW715.18 g/mol
LogP3.06
Rot. Bonds12

About 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine

3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine (PubChem CID 91072495) has the molecular formula C41H82N10 and a molecular weight of 715.18 g/mol. Its IUPAC name is 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine
PubChem CID91072495
Molecular FormulaC41H82N10
Molecular Weight715.18 g/mol
Exact Mass714.67
IUPAC Name3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine
SMILESCCNC1CCN(C2(N3CCC(N(C)C)CC3)NCCC(NC)(C3CCCN(C)C3)C2(C2CCCCN2C)N2CCC(N(CC)CC)CC2)CC1
InChIInChI=1S/C41H82N10/c1-9-43-35-17-27-50(28-18-35)41(51-31-19-36(20-32-51)45(5)6)40(38-16-12-13-26-47(38)8,49-29-21-37(22-30-49)48(10-2)11-3)39(42-4,23-24-44-41)34-15-14-25-46(7)33-34/h34-38,42-44H,9-33H2,1-8H3
InChIKeyCQGFQVQUWSCYIS-UHFFFAOYSA-N
XLogP3.06
TPSA58.77 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500715.18
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine?
The IUPAC name of 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine (CID 91072495) is 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine.
What is the SMILES notation for 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine?
The canonical SMILES for 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine is CCNC1CCN(C2(N3CCC(N(C)C)CC3)NCCC(NC)(C3CCCN(C)C3)C2(C2CCCCN2C)N2CCC(N(CC)CC)CC2)CC1.
What is the InChIKey of 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine?
The InChIKey is CQGFQVQUWSCYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H82N10/c1-9-43-35-17-27-50(28-18-35)41(51-31-19-36(20-32-51)45(5)6)40(38-16-12-13-26-47(38)8,49-29-21-37(22-30-49)48(10-2)11-3)39(42-4,23-24-44-41)34-15-14-25-46(7)33-34/h34-38,42-44H,9-33H2,1-8H3.
What are the key properties of 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine?
3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine has a molecular weight of 715.18 g/mol, XLogP of 3.06, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(diethylamino)piperidin-1-yl]-2-[4-(dimethylamino)piperidin-1-yl]-2-[4-(ethylamino)piperidin-1-yl]-N-methyl-3-(1-methylpiperidin-2-yl)-4-(1-methylpiperidin-3-yl)piperidin-4-amine is sourced from PubChem (CID 91072495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).