actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide

C15H23AcN2- — CID 21303271

IUPACactinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide
SMILESCC(C)N1CCC(C[NH-])(c2ccccc2)CC1.[Ac]
InChIInChI=1S/C15H23N2.Ac/c1-13(2)17-10-8-15(12-16,9-11-17)14-6-4-3-5-7-14;/h3-7,13,16H,8-12H2,1-2H3;/q-1;
InChIKeyPTCRVZRMLJPQSH-UHFFFAOYSA-N
MW458.36 g/mol
LogP3.48
Rot. Bonds3

About actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide

actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide (PubChem CID 21303271) has the molecular formula C15H23AcN2- and a molecular weight of 458.36 g/mol. Its IUPAC name is actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide.

Molecular Properties

Compound Nameactinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide
PubChem CID21303271
Molecular FormulaC15H23AcN2-
Molecular Weight458.36 g/mol
Exact Mass458.21
IUPAC Nameactinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide
SMILESCC(C)N1CCC(C[NH-])(c2ccccc2)CC1.[Ac]
InChIInChI=1S/C15H23N2.Ac/c1-13(2)17-10-8-15(12-16,9-11-17)14-6-4-3-5-7-14;/h3-7,13,16H,8-12H2,1-2H3;/q-1;
InChIKeyPTCRVZRMLJPQSH-UHFFFAOYSA-N
XLogP3.48
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.36
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide?
The IUPAC name of actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide (CID 21303271) is actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide.
What is the SMILES notation for actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide?
The canonical SMILES for actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide is CC(C)N1CCC(C[NH-])(c2ccccc2)CC1.[Ac].
What is the InChIKey of actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide?
The InChIKey is PTCRVZRMLJPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N2.Ac/c1-13(2)17-10-8-15(12-16,9-11-17)14-6-4-3-5-7-14;/h3-7,13,16H,8-12H2,1-2H3;/q-1;.
What are the key properties of actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide?
actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide has a molecular weight of 458.36 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(4-phenyl-1-propan-2-ylpiperidin-4-yl)methylazanide is sourced from PubChem (CID 21303271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).