4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine

C43H85N3 — CID 121247903

IUPAC4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(CCCCCCCCCC(C2CC(C(C)C)NC(C(C)C)C2)C2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C43H85N3/c1-28(2)38-22-34(23-39(44-38)29(3)4)20-18-16-14-13-15-17-19-21-37(35-24-40(30(5)6)45-41(25-35)31(7)8)36-26-42(32(9)10)46-43(27-36)33(11)12/h28-46H,13-27H2,1-12H3
InChIKeyVCINCUXNVSGLKP-UHFFFAOYSA-N
MW644.17 g/mol
LogP11.26
Rot. Bonds18

About 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine

4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine (PubChem CID 121247903) has the molecular formula C43H85N3 and a molecular weight of 644.17 g/mol. Its IUPAC name is 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine
PubChem CID121247903
Molecular FormulaC43H85N3
Molecular Weight644.17 g/mol
Exact Mass643.67
IUPAC Name4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine
SMILESCC(C)C1CC(CCCCCCCCCC(C2CC(C(C)C)NC(C(C)C)C2)C2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1
InChIInChI=1S/C43H85N3/c1-28(2)38-22-34(23-39(44-38)29(3)4)20-18-16-14-13-15-17-19-21-37(35-24-40(30(5)6)45-41(25-35)31(7)8)36-26-42(32(9)10)46-43(27-36)33(11)12/h28-46H,13-27H2,1-12H3
InChIKeyVCINCUXNVSGLKP-UHFFFAOYSA-N
XLogP11.26
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.17
LogP ≤ 511.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine?
The IUPAC name of 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine (CID 121247903) is 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine?
The canonical SMILES for 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine is CC(C)C1CC(CCCCCCCCCC(C2CC(C(C)C)NC(C(C)C)C2)C2CC(C(C)C)NC(C(C)C)C2)CC(C(C)C)N1.
What is the InChIKey of 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine?
The InChIKey is VCINCUXNVSGLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H85N3/c1-28(2)38-22-34(23-39(44-38)29(3)4)20-18-16-14-13-15-17-19-21-37(35-24-40(30(5)6)45-41(25-35)31(7)8)36-26-42(32(9)10)46-43(27-36)33(11)12/h28-46H,13-27H2,1-12H3.
What are the key properties of 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine?
4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine has a molecular weight of 644.17 g/mol, XLogP of 11.26, 18 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,10-bis[2,6-di(propan-2-yl)piperidin-4-yl]decyl]-2,6-di(propan-2-yl)piperidine is sourced from PubChem (CID 121247903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).